CAS 111-27-3|1-Hexanol

Introduction:Basic information about CAS 111-27-3|1-Hexanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1-Hexanol
CAS Number111-27-3Molecular Weight102.175
Density0.8±0.1 g/cm3Boiling Point158.2±3.0 °C at 760 mmHg
Molecular FormulaC6H14OMelting Point−52 °C(lit.)
MSDSChineseUSAFlash Point60.0±0.0 °C
Symbol
GHS02, GHS07
Signal WordWarning

Names

Namehexan-1-ol
SynonymMore Synonyms

1-Hexanol BiologicalActivity

Description1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties[1]. 1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism[2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Cuong V Nguyen, et al. Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. J Phys Chem B. 2013 Jun 27;117(25):7615-20.

[2]. M Canton, et al. The nature of uncoupling by n-hexane, 1-hexanethiol and 1-hexanol in rat liver mitochondria. Biochim Biophys Acta. 1996 May 20;1274(1-2):39-47.

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point158.2±3.0 °C at 760 mmHg
Melting Point−52 °C(lit.)
Molecular FormulaC6H14O
Molecular Weight102.175
Flash Point60.0±0.0 °C
Exact Mass102.104462
PSA20.23000
LogP1.94
Vapour density4.5 (vs air)
Vapour Pressure0.9±0.6 mmHg at 25°C
Index of Refraction1.416
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILESCCCCCCO
StabilityStable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.
Water Solubility6 g/L (25 ºC)

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 WordWarning
Hazard StatementsH226-H302 + H312-H319
Precautionary StatementsP280-P305 + P351 + P338
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn:Harmful
Risk PhrasesR22
Safety PhrasesS24/25
RIDADRUN 2282 3/PG 3
WGK Germany1
RTECSMQ4025000
Packaging GroupIII
Hazard Class3
HS Code2905199090

Customs

HS Code2905199090
Summary2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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Synonyms

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
CAS 78-83-1|isobutanol
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