CAS 111-27-3|1-Hexanol
| Common Name | 1-Hexanol | ||
|---|---|---|---|
| CAS Number | 111-27-3 | Molecular Weight | 102.175 |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 158.2±3.0 °C at 760 mmHg |
| Molecular Formula | C6H14O | Melting Point | −52 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 60.0±0.0 °C |
| Symbol | GHS02, GHS07 | Signal Word | Warning |
Names
| Name | hexan-1-ol |
|---|---|
| Synonym | More Synonyms |
1-Hexanol BiologicalActivity
| Description | 1-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 Catalog | Research 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
| 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 |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| SMILES | CCCCCCO |
| Stability | Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible. |
| Water Solubility | 6 g/L (25 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 |
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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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 |
