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SECTION 1. CHEMICAL IDENTIFICATION

CHEMINFO Record Number: 580
CCOHS Chemical Name: 1-Heptanol

Synonyms:
Enanthic alcohol
Heptanol (non-specific name)
n-Heptanol
1-Hydroxyheptane
Heptyl alcohol (non-specific name)
n-Heptyl alcohol
prim-n-Heptyl alcohol
Hexylcarbinol

Chemical Name French: heptane-1-ol
Chemical Name Spanish: heptan-1-ol
CAS Registry Number: 111-70-6
RTECS Number(s): MK0350000
EU EINECS/ELINCS Number: 203-897-9
Chemical Family: Saturated primary aliphatic alcohol / primary alkanol / primary alkyl alcohol / heptanol / heptyl alcohol
Molecular Formula: C7-H16-O
Structural Formula: CH3-CH2-CH2-CH2-CH2-CH2-CH2-OH

SECTION 2. DESCRIPTION

Appearance and Odour:
Colourless, fragrant liquid.(6)

Odour Threshold:
0.06 ppm (100% recognition) (7)

Warning Properties:
Insufficent information for evaluation.

Composition/Purity:
1-Heptanol is available in grades of 97% to greater than 99.5% purity.

Uses and Occurrences:
Pure 1-heptanol has very few commercial uses, except in fragrances, in cosmetic formulations, as an artificial flavouring agent and adjuvant, as a solvent and as an organic intermediate. It is used mainly as a component of isomeric mixtures of C7 alcohols and C7 to C11 alcohol mixtures.(5,6,14)
1-Heptanol is found naturally in plants, essential oils (e.g. hyacinth and violet leaves), meats and fruits.(4) It may be released into the environment during its manufacture, transport, use and disposal.


SECTION 3. HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW:
Colourless, fragrant liquid. COMBUSTIBLE LIQUID AND VAPOUR. During a fire, irritating/toxic smoke and fumes may be generated. Mild central nervous system depressant. High mist concentrations may cause headache, nausea, dizziness, drowsiness, incoordination and confusion. EYE IRRITANT. Causes moderate to severe eye irritation. Aspiration hazard. Swallowing or vomiting of the liquid may cause aspiration (breathing) into the lungs.



POTENTIAL HEALTH EFFECTS

Effects of Short-Term (Acute) Exposure

Inhalation:
1-Heptanol does not readily form a vapour at room temperature. Vapours produced from heating 1-heptanol or mists can probably irritate the nose and throat. High concentrations of mist may cause headache, nausea, dizziness and drowsiness. These are symptoms of central nervous system (CNS) depression.
No human information was located for 1-heptanol. These effects have been described following exposure to other alcohols (1-butanol and mixed pentanol isomers). Limited animal information suggests this alcohol has low inhalation toxicity.

Skin Contact:
The liquid is probably a mild irritant, based on animal and limited human information. A 1% solution in petrolatum did not produce irritation in volunteers after a 48-hour closed-patch test.(4, citing an unpublished study)
1-Heptanol can be absorbed through the skin to a small extent.

Eye Contact:
The liquid is a moderate eye irritant, based on animal information. The vapour may also be irritating, based on comparison to other alcohols. No human information was located.

Ingestion:
1-Heptanol is not considered toxic if ingested based on animal toxicity values. In general, ingestion of large amounts of 1-heptanol may cause effects resembling "alcohol" intoxication, such as headache, dizziness, confusion, nausea and vomiting. 1-Heptanol can be aspirated into the lungs during ingestion or vomiting. This may result in severe lung damage (edema) and, in some cases, respiratory failure and death. Ingestion is not a typical route of occupational exposure.

Effects of Long-Term (Chronic) Exposure

Skin:
Repeated or prolonged exposure to liquid can cause irritant dermatitis (dry, red, cracked, thickened skin).

Skin Sensitization:
Negative results were obtained in a patch test with 20 volunteers.(4, citing an unpublished study)

Carcinogenicity:

No human or animal information was located.

The International Agency for Research on Cancer (IARC) has not evaluated the carcinogenicity of this chemical.

The American Conference of Governmental Industrial Hygienists (ACGIH) has no listing for this chemical.

The US National Toxicology Program (NTP) has not listed this chemical in its report on carcinogens.

Teratogenicity and Embryotoxicity:
No human or animal information was located.

Reproductive Toxicity:
No human or animal information was located.

Mutagenicity:
No human or animal information was located. There is one unconfirmed report of positive results in cultured mammalian cells.

Toxicologically Synergistic Materials:
Alcohols may interact synergistically with chlorinated solvents (e.g. carbon tetrachloride), aromatic hydrocarbons (e.g. xylene), or dithiocarbamates (e.g. disulfirams).

Potential for Accumulation:
Does not accumulate. In rabbits, 1-heptanol is primarily oxidized to heptanoic acid, which either undergoes further oxidation to carbon dioxide, which is exhaled, or forms an ester glucuronide, which is excreted in the urine. In a second minor pathway, it is conjugated with glucuronic acid, which is excreted in the urine.(5, unconfirmed)


SECTION 4. FIRST AID MEASURES

Inhalation:
If symptoms are experienced, remove source of contamination or move victim to fresh air. Obtain medical advice.

Skin Contact:
Remove contaminate clothing, shoes and leather goods (e.g. watchbands or belts). Flush affected area with lukewarm, gently flowing water for 5 minutes. If irritation persists, repeat flushing. Obtain medical advice. Completely decontaminate clothing, shoes and leather goods before re-use or discard.

Eye Contact:
Immediately flush the contaminated eye(s) with lukewarm, gently flowing water for 15-20 minutes, while holding the eyelid(s) open. If a contact lens is present, DO NOT delay irrigation or attempt to remove the lens. Take care not to rinse contaminated water into the unaffected eye or onto the face. Immediately obtain medical attention.

Ingestion:
NEVER give anything by mouth if victim is rapidly losing consciousness, is unconscious or convulsing. Have victim rinse mouth thoroughly with water. DO NOT INDUCE VOMITING. If vomiting occurs naturally, have victim lean forward to reduce risk of aspiration. Have victim rinse mouth with water again. Immediately obtain medical attention.

First Aid Comments:
Provide general supportive measures (comfort, warmth, rest).
Consult a doctor and/or the nearest Poison Control Centre for all exposures except minor instances of inhalation or skin contact.
All first aid procedures should be periodically reviewed by a doctor familiar with the material and its conditions of use in the workplace.



SECTION 5. FIRE FIGHTING MEASURES

Flash Point:
73 deg C (163.4 deg F) (closed cup) (9); Also reported as 76.7 deg C (170 deg F) (closed cup) (8)

Lower Flammable (Explosive) Limit (LFL/LEL):
1.0% (8)

Upper Flammable (Explosive) Limit (UFL/UEL):
7.2% (8)

Autoignition (Ignition) Temperature:
281.7 deg C (539 deg F) (8)

Sensitivity to Mechanical Impact:
Probably not sensitive. Stable material.

Sensitivity to Static Charge:
1-Heptanol will probably not accumulate static charge based on its moderate-high dielectric constant (9) and comparison to the related alcohol, 1-hexanol, which has a high electrical conductivity. 1-Heptanol vapour will not be ignited by a static discharge at room temperature due to its high flash point.

Combustion and Thermal Decomposition Products:
Carbon monoxide, carbon dioxide and other irritant gases, which may include unburned alcohol and toxic constituents.

Fire Hazard Summary:
Combustible liquid. Can form explosive mixtures with air. During a fire, irritating/toxic smoke and fumes may be generated. Closed containers may rupture violently and suddenly release large amounts of product when exposed to fire or excessive heat for a sufficient period of time.

Extinguishing Media:
Carbon dioxide, dry chemical powder, appropriate foam, water spray or fog. Special multipurpose, alcohol resistant fire-fighting foams are recommended for use with any polar combustible liquid that is slightly soluble in water, like 1-heptanol.(11) Fire fighting foam manufacturers should be consulted for recommendations regarding types of foams and application rates.

Fire Fighting Instructions:
Evacuate area and fight fire from a safe distance or protected location. Approach fire from upwind to avoid toxic decomposition products.
If possible, isolate materials not yet involved in the fire, and move containers from the fire area if this can be done without risk, and protect personnel. Closed containers may rupture violently when exposed to the heat of fire and suddenly release large amounts of products. Therefore, fire-exposed containers or tanks should be cooled by application of hose streams. Application should begin as soon as possible (within the first several minutes) and should concentrate on any unwetted portions of the container. Apply water from the side and from a safe distance until well after the fire is out. Stay away from ends of tanks, involved in fire, but be aware that flying material from ruptured tanks may travel in any direction. Withdraw immediately in case of rising sound from venting safety device or any discolouration of tank due to fire. Cooling should continue until well after the fire is out. If this is not possible, use unmanned monitor nozzles and immediately evacuate the area.
If a leak or spill has not ignited, use water spray in large quantities to disperse the vapours and to protect personnel attempting to stop a leak. Water spray can be used to flush spills away from ignition sources and to dilute spills to non-flammable mixtures. Solid streams of water may be ineffective and spread material.
For an advanced or massive fire in a large area, use unmanned hose holder or monitor nozzles; if this is not possible withdraw from fire area and allow fire to burn.
Tanks or drums should not be approached directly after they have been involved in a fire, until they have been completely cooled down.

Protection of Fire Fighters:
1-Heptanol is only slightly hazardous to health. Firefighters may enter the area if positive pressure self-contained breathing apparatus (NIOSH approved or equivalent) and full Bunker Gear is worn.



NATIONAL FIRE PROTECTION ASSOCIATION (NFPA) HAZARD IDENTIFICATION

NFPA - Comments:
NFPA has no listing for this chemical in Codes 49 or 325.


SECTION 9. PHYSICAL AND CHEMICAL PROPERTIES

Molecular Weight: 116.21

Conversion Factor:
1 ppm = 4.74 mg/m3; 1 mg/m3 = 0.211 ppm at 20 deg C (calculated)

Physical State: Liquid
Melting Point: -34 deg C (-29.2 deg F) (8,9)
Boiling Point: 176 deg C (349 deg F) (12b,14)
Relative Density (Specific Gravity): 0.822 at 20 deg C (9,14); 0.8205 at 25 deg C (19) (water = 1)
Solubility in Water: Slightly soluble (90-100 mg/100 mL at 18 deg C (7,10); 170-180 mg/100 mL at 25 deg C (19))
Solubility in Other Liquids: Soluble in all proportions in ethanol and diethyl ether (6,9); slightly soluble in carbon tetrachloride (22).
Coefficient of Oil/Water Distribution (Partition Coefficient): Log P(oct) = 2.62 (20,21)
pH Value: Not available. Alcohols are both weak acids and weak bases.
Viscosity-Dynamic: 7.40 mPa.s (7.40 centipoises) at 20 deg C (12a); 5.81 mPa.s (5.81 centipoises) at 25 deg C (9)
Viscosity-Kinematic: 9.0 mm2/s (9.0 centistokes) at 20 deg C; 7.08 mm2/s (7.08 centistokes) at 25 deg C (calculated)
Saybolt Universal Viscosity: 49.0-55.3 Saybolt Universal Seconds at 37.8 deg C (100 deg F) (calculated)
Surface Tension: 27.1 mN/m (27.1 dynes/cm) at 25 deg C (13)
Vapour Density: 4.01 (air = 1) (calculated)
Vapour Pressure: 0.029 kPa (0.216 mm Hg) at 25 deg C (calculated from experimentally derived or estimated coefficients) (8)
Saturation Vapour Concentration: Approximately 285 ppm (0.029%) at 25 deg C (calculated)
Evaporation Rate: Not available
Henry's Law Constant: 1.88 Pa.m3/mol (cited as log H = -3.12 (dimensionless)) at 25 deg C (experimental) (27)

Other Physical Properties:
DIELECTRIC CONSTANT: 11.75 at 20 deg C (9)
*NOTE: Mixtures with water are colloidal (not true solutions but small particles suspended in the water).(10)


SECTION 10. STABILITY AND REACTIVITY

Stability:
Normally stable

Hazardous Polymerization:
Does not occur

Incompatibility - Materials to Avoid:

NOTE: Chemical reactions that could result in a hazardous situation (e.g. generation of flammable or toxic chemicals, fire or detonation) are listed here. Many of these reactions can be done safely if specific control measures (e.g. cooling of the reaction) are in place. Although not intended to be complete, an overview of important reactions involving common chemicals is provided to assist in the development of safe work practices.


STRONG OXIDIZING AGENTS (e.g. calcium hypochlorite, chlorine oxides, chromium trioxide, hydrogen peroxide, nitric acid or nitrates) - may react violently or explosively. Increased risk of fire and explosion.(11,23)
HALOGENS (e.g. bromine or chlorine) - reaction may be vigorous or violent, resulting in explosions.(11,23)
PERCHLORIC ACID or METAL PERCHLORATES (e.g. barium perchlorate) - may form shock-sensitive or explosive compounds.(11,23)
ACIDS, ACID ANHYDRIDES, or ACID CHLORIDES - reaction may be vigorous or violent, with the evolution of heat.
ALKALI METALS (e.g. sodium or potassium) - reaction may be violent resulting in explosions. Flammable hydrogen gas is given off.(23)
LITHIUM ALUMINUM HYDRIDE - reaction may be vigorous.(11)
ISOCYANATES (e.g. toluene diisocyanate, hexamethylene diisocyanate or methyl isocyanate) - may react vigorously, violently or explosively with the generation of heat.(11)
Mixtures or reactions of alcohols with the following materials may cause explosions: acetaldehyde, dialkylmagnesiums, N-haloimides (e.g. N- bromosuccinimide or N-chlorosuccinimide), ethylene oxide, hydrogen peroxide and sulfuric acid, hypochlorous acid, nitrogen tetraoxide, nitryl hypochlorite, permonosulfuric acid and tri-isobutyl aluminum.(11,23)

Hazardous Decomposition Products:
None reported

Conditions to Avoid:
Open flames, heat and other ignition sources.

Corrosivity to Metals:
No specific information is available for 1-heptanol. In general, primary aliphatic alcohols are not corrosive to the common metals. The closely related alcohols, hexanol and octanol (isomers not specified), are not corrosive at room temperature to stainless steel (e.g. types 301, 304, 316, 410, 420 and 440), carbon steel (e.g. types 1010, 1020 and 1075), aluminum (e.g. types 3003 and Cast B-356), cast iron (unspecified), nickel and nickel-base alloys, like Hastelloy, Carpenter 20Cb-3, copper, bronze, tantalum, titanium and zirconium.(24,26)

Corrosivity to Non-Metals:
There is no specific information available for 1-heptanol. The closely related alcohols, 1-hexanol and 1-octanol, attack plastics, like acrylonitrile-butadiene-styrene (ABS), riged polyurethane and styrene-acrylonitrile (SAN) (25,29); and elastomers, like polyacrylate and polyurethane (30). 1-Hexanol and 1-octanol do not attack plastics, like Teflon and other fluorocarbons, e.g. polyvinylidene fluoride (Kynar), polyvinyl chloride (PVC), chlorinated polyvinyl chloride (CPVC), polypropylene, nylon, polyester fibre (Dacron) and high-density polyethylene (29); and elastomers, like nitrile Buna N (NBR), ethylene-propylene, Viton and other fluorocarbons, like Chemraz, chloroprene, styrene-butadiene (SBR) and low-density polyethylene (30).


SECTION 11. TOXICOLOGICAL INFORMATION

LC50 (mouse): 3300 mg/m3 (4-hour exposure); cited as 6600 mg/m3 (2-hour exposure) (assumed aerosol) (15-unconfirmed)

LD50 (oral, rabbit): 750 mg/kg (heptanol, isomer unspecified) (16)
LD50 (oral, mouse): 1500 mg/kg (heptanol, isomer unspecified) (16)
LD50 (oral, rat): 3250 mg/kg (heptanol, isomer unspecified) (17)

LD50 (dermal, rabbit): approximately 2000 mg/kg (1)

Eye Irritation:

1-Heptanol is a moderate to severe irritant.

Application of 0.1 mL caused moderate to severe irritation (inflammation and reduced the transparency of the cornea) in rabbits.(1) Application of a filter paper soaked in 1-heptanol for 1 minute removed the outer layer of the cornea, without damaging underlying tissue, in rabbits.(2)

Skin Irritation:

1-Heptanol is a mild irritant.

In rabbits, intact skin did not show any signs of irritation after 72 hours. On broken skin, some redness occurred after 24 hours.(1) Application of undiluted 1-heptanol to intact or broken skin, under cover for 24 hours, produced moderate irritation in rabbits.(4, citing an unpublished study)

Effects of Short-Term (Acute) Exposure:

Inhalation:
The RD50, the concentration which produces a 50% reduction in the respiratory rate of mice, is 100 ppm for a 5-minute exposure.(18) Another study showed the RD50 to be 770 ppm for a 10-minute exposure.(28) Exposure to these concentrations is expected to produce intolerable eye, nose and throat irritation (sensory irritation) in humans. Exposure of rats by inhalation to a concentrated vapour (approximately 240-285 ppm) for 4 hours did not produce any signs of intoxication or change in behaviour. Examination of tissues did not show any organ damage.(1)

Ingestion:
Instant death was reported in 10/10 rats after aspiration of 0.2 mL 1-heptanol. Death was attributed to respiratory arrest. The lungs showed bleeding and accumulation of fluid (edema).(13)

Effects of Long-Term (Chronic) Exposure:

Inhalation:
Inhalation of 38-74 ppm (180-350 mg/m3) (cited as 0.18-0.35 mg/L) for 4.5 months (2 hr/d) led to some minor blood changes in rats.(4-unconfirmed) There are insufficient details available to evaluate this study.

Ingestion:
Oral administration of 0, 1.4, 14 or 50 mg/kg heptanol (isomer not specified) to rabbits for 6 months produced minor changes in liver function. There were no other significant changes observed.(16) This study is limited by the small number of animals used (6/group).


SECTION 16. OTHER INFORMATION

Selected Bibliography:
(1) Truhaut, R., et al. Contribution a l'etude toxicologique de l'alcool n-heptylique primaire. Archives des Maladies Professionnelles, de Medecine du Travail et de Securite Sociale (Paris). Vol. 35, no. 4-5 (Avr.-Mai 1974). p. 501-509
(2) Grant, W.M., et al. Toxicology of the eye. 4th ed. Charles C. Thomas, 1993
(3) Onfelt, A. Spindle disturbances in mammalian cells. III. Toxicity, c-mitosis and aneuploidy with 22 different compounds. Specific and unspecific mechanisms. Mutation Research. Vol. 182 (1987). p. 135-154
(4) Opdyke, D.L.J. Fragrance raw materials monographs: alcohol C-7. Food and Cosmetics Toxicology. Vol. 13 suppl. (Dec. 1975). p. 697-698
(5) Bevan, C. Monohydric alcohols - C7 to C18, aromatic, and other alcohols. In: Patty's toxicology. 5th ed. Edited by E. Bingham, et al. Vol. 6, Chpt. 78. John Wiley and Sons, 2001
(6) Heptyl alcohol. Hawley's condensed chemical dictionary. [CD-ROM]. 14th ed. Edited by R.J. Lewis, Sr. John Wiley and Sons, Inc., 2002
(7) Verschueren, K. Handbook of environmental data on organic chemicals. 4th ed. Vols. 1 and 2. John Wiley and Sons, Inc., 2001. p. 28, 1221-1222
(8) Yaws, C.L. Handbook of chemical compound data for process safety: comprehensive safety and health-related data for hydrocarbons and organic chemicals: selected data for inorganic chemicals. Library of physico-chemical property data. Gulf Publishing Company, 1997. p. 16, 42, 69, 97
(9) Dean, J.A. Lange's handbook of chemistry. 15th ed. McGraw-Hill, Inc., 1999. p.1.233, 5.47, 5.97, 5.118
(10) 1-Heptanol. The Merck index: an encyclopedia of chemicals, drugs and biologicals. Edited by M.J. O'Neil, et al. 13th ed. Merck and Company, 2001. p. 832
(11) Fire protection guide to hazardous materials. 13th ed. Edited by A.B. Spencer, et al. National Fire Protection Association, 2002. NFPA 325; NFPA 49; NFPA 491
(12a) Peters, R.A. Alcohols, higher aliphatic. In: Kirk-Othmer encyclopedia of chemical technology. 4th ed. Vol. 1. John Wiley and Sons, 1991. p. 865- 893
(12b) Kenneally, C.J. Alcohols, higher aliphatic, survey and natural alcohols manufacture. In: Kirk-Othmer encyclopedia of chemical technology. John Wiley and Sons, 2005. Available at: <www.mrw.interscience.wiley.com/kirk/kirk_search_fs.html> {Subscription required}
(13) Gerarde, H.W., et al. The aspiration hazard and toxicity of a homologous series of alcohols. Archives of Environmental Health. Vol. 13 (Oct. 1966). p. 457-461
(14) Falbe, J. et al. Alcohols, aliphatic. In: Ullmann's encyclopedia of industrial chemistry. 7th ed. John Wiley and Sons, 2005. Available at: <www.mrw.interscience.wiley.com/ueic/ueic_search_fs.html> {Subscription required}
(15) Izmerov., N.F. Toxicometric parameters of industrial toxic chemicals under single exposure. Centre of International Projects, 1982. p. 72
(16) Voskoboinikova, V.B. Determination of the maximum permissible concentrations of the flotation agent IM-68 and of its component alcohols (hexyl, heptyl and octyl) in water supplies. Hygiene and Sanitation. Vol. 31, nos. 1-3 (1966). p. 310-316
(17) Henson, E.V. The toxicology of some aliphatic alcohols. Journal of Occupational Medicine. Vol. 2 (Sept. 1960). p. 442-446
(18) Muller, J., et al. Recherche de relations entre toxicite de molecules d'interet industriel et proprietes physico-chimiques: test d'irritation des voies aeriennes superieurers applique a quatre familles chimiques. Food Chemistry and Toxicology. Vol. 22, no. 8 (1984). p. 661-664
(19) Mackay, D., et al. Physical-chemical properties and environmental fate handbooks. (CD-ROM). CRCnetBASE 2000. Chapman and Hall/CRCnetBASE, 2000
(20) Sangster, J. Octanol-water coefficients of simple organic compounds. Journal of Physical and Chemical Reference Data. Vol. 18, no. 3 (1989). p. 1156
(21) Syracuse Research Corporation. Interactive LogKow (KowWin) Database Demo. Date unknown. Available at: <syrres.com/esc/kowdemo.htm>
(22) Handbook of chemistry and physics. [CD-ROM]. Edited by D.R. Lide. Chapman and Hall/CRCnetBASE, 1999
(23) Bretherick's reactive chemical hazards database. [CD-ROM]. 6th ed. Version 3.0. Edited by P.G. Urben. Butterworth-Heinemann Ltd., 1999
(24) Corrosion data survey: metals section. 6th ed. National Association of Corrosion Engineers, 1985. p. 66-13 to 67-13, 92-2 to 93-2
(25) Corrosion data survey: nonmetals section. 5th ed. National Association of Corrosion Engineers, 1983. p. 19 (1-6), 23 (3-6)
(26) Pruett, K.M. Chemical resistance guide to metals and alloys: a guide to chemical resistance of metals and alloys. Compass Publications, 1995. p. 230-241
(27) Hine, J. et al. The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions. Journal of Organic Chemistry. Vol. 40, no. 3 (1975). p. 292-298
(28) Hansen, L.F., et al. Sensory irritation, pulmonary irritation and structure-activity relationships of alcohols. Toxicology. Vol. 88, nos. 1-3 (1994). p. 81-99
(29) Pruett, K.M. Chemical resistance guide for plastics: a guide to chemical resistance of engineering thermoplastics, fluoroplastics, fibers and thermoset resins. Compass Publications, 2000. p. 230-241, 362-373
(30) Pruett, K.M. Chemical resistance guide for elastomers II: a guide to chemical resistance of rubber and elastomeric compounds. Compass Publications, 1994. p. C-182 to C-187, C-260 to C-271
(31) National Institute for Occupational Safety and Health (NIOSH). Alcohols II. In: NIOSH Manual of Analytical Methods (NMAM(R)). 4th ed. Edited by M.E. Cassinelli, et al. DHHS (NIOSH) Publication 94-113. Aug. 1994. Available at: <www.cdc.gov/niosh/nmam/nmammenu.html>

Information on chemicals reviewed in the CHEMINFO database is drawn from a number of publicly available sources. A list of general references used to compile CHEMINFO records is available in the database Help.


Review/Preparation Date: 2005-07-03

Revision Indicators:
Short-term ingestion 2006-02-20



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