1-Hexanol

Suppliers

Names

[ CAS No. ]:
111-27-3

[ Name ]:
1-Hexanol

[Synonym ]:
n-hexanol
n-C6H13OH
n-Hexan-1-ol
n-Hexenol
UNII-6CP2QER8GS
Q6
hexan-1
Caproyl alcohol
1-hexyl alcohol
EINECS 203-852-3
n-Hexyl alcohol
Caproic alcohol
hexanol
Hexyl alcohol
1-Hydroxyhexane
1-Hexanol
Exxal 6
Epal 6
hexan-1-ol
FEMA 2567
MFCD00002982

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
158.2±3.0 °C at 760 mmHg

[ Melting Point ]:
−52 °C(lit.)

[ Molecular Formula ]:
C₆H₁₄O

[ Molecular Weight ]:
102.175

[ Flash Point ]:
60.0±0.0 °C

[ Exact Mass ]:
102.104462

[ PSA ]:
20.23000

[ LogP ]:
1.94

[ Vapour density ]:
4.5 (vs air)

[ Vapour Pressure ]:
0.9±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.416

[ Stability ]:
Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.

[ Water Solubility ]:
6 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MQ4025000

CHEMICAL NAME :: Hexyl alcohol

CAS REGISTRY NUMBER :: 111-27-3

BEILSTEIN REFERENCE NO. :: 0969167

LAST UPDATED :: 199806

DATA ITEMS CITED :: 18

MOLECULAR FORMULA :: C6-H14-O

MOLECULAR WEIGHT :: 102.20

WISWESSER LINE NOTATION :: Q6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/21/1967 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 720 mg/kg

TOXIC EFFECTS :: Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Blood - other changes

REFERENCE :: SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 43,795,1969

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1950 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),310,1966

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 103 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 135,330,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3100 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 2442 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 101 gm/kg/3W-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 10,379,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18450 mg/kg/30W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - sensory change involving peripheral nerve

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 46,421,1978

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9100 mg/kg/26W-I

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),310,1966 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0244 No. of Facilities: 3205 (estimated) No. of Industries: 12 No. of Occupations: 22 No. of Employees: 20684 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0244 No. of Facilities: 1126 (estimated) No. of Industries: 23 No. of Occupations: 34 No. of Employees: 27055 (estimated) No. of Female Employees: 8574 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H302 + H312-H319

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
UN 2282 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
MQ4025000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2905199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Hexanal
1-Hexanoic acid
Methyl hexoate
6-Hexanolactone
Hexyl hexanoate
triethyl(hexoxy)silane
Benzenemethanol,4-methoxy-a,a-diphenyl-
Benzhydrol
Hexane,1-(2-propen-1-yloxy)-
(E)-2-HEXENOL

DownStream

dihexyl 9-ethylcarbazole-3,6-dicarboxylate
1-(benzenesulfonyl)-5-hexoxypyrrolidin-2-one
hexyl N-butylcarbamate
Hexyl gallate
hexyl heptanoate
fema 3457
1-Bromohexane
2-BROMOHEXANE
4-Hexylanilin
Benzenesulfonic acid,4-methyl-, hexyl ester

Customs

[ HS Code ]: 2905199090

[ Summary ]:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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1-Hexanol-d5
1-Hexanol-d3
1-Hexanol-13C6
2-OMe-1-hexanol
5-Brom-1-hexanol
6-Iodo-1-Hexanol
1-Acetoxy-2-methyl-4-morpholinopyridin-1-ium tetraphenylborate
1-((Methoxycarbonyl)oxy)-4-morpholinopyridin-1-ium tetraphenylborate
4-(Dimethylamino)-1-((dimethylcarbamoyl)oxy)-2-methylpyridin-1-ium tetraphenylborate
1-((Morpholine-4-carbonyl)oxy)-4-morpholinopyridin-1-ium tetraphenylborate
4-Methoxy-1-(morpholine-4-carbonyl)pyridin-1-ium tetraphenylborate
1-((Dimethylcarbamoyl)oxy)-4-morpholinopyridin-1-ium tetraphenylborate
1-((Dimethylcarbamoyl)oxy)-2,4,6-trimethylpyridin-1-ium tetraphenylborate
4-(Dimethylamino)-1-((piperidine-1-carbonyl)oxy)pyridin-1-ium tetraphenylborate
1-Acetoxy-2,4-dimethylpyridin-1-ium tetraphenylborate
1-Methyl-3-(morpholine-4-carbonyl)-1H-imidazol-3-ium tetraphenylborate

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