Basic information
- CAS
26549-24-6- Standard SMILES
CCCCC(C)O- InChIKey
QNVRIHYSUZMSGM-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Overview
Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a hexanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 2-Hexanol
- IUPAC
- hexan-2-ol
- English name
- (R)-(-)-2-HEXANOL
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2-HEXANOLhexan-2-ol626-93-72-Hydroxyhexane2-Hexyl Alcohol9CDT0V6T4PNSC-3706CHEBI:88370DTXSID30893088(+-)-2-HexanolRefChem:909857DTXCID70811105
Show more names
(R)-Hexan-2-ol(R)-2-HEXANOL(2R)-2-Hexanol(2R)-Hexan-2-ol2-Hexanol, (2R)-(R)-(-)-2-hexylol(R)-(-)-2-HEXANOLRARECHEM AK HZ 0015(R)-(-)-2-HEXANOL 99%(R)-(-)-2-HYDROXYHEXANE
210-971-4(+/-)-2-HexanolMFCD00004585n-C4H9CH(OH)CH354972-97-32-Hexanol, (S)-Hexan-2-ol; 2-Hexanol69203-06-1
Database identifiers
- CAS
26549-24-6、37769-60-1、52019-78-0、54972-97-3、626-93-7、69203-06-1- PubChem CID
- 12297
- DTXSID
DTXSID30893088- ChEMBL
CHEMBL45425- ChEBI
CHEBI:88370
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
LogP1.76
Density
Relative density (water = 1): 0.8
0.814 @25 °C
SolubilitySolubility in water: poor
Flash Point41 °C
Boiling Point
136 °C
139 °C @760 [mm Hg]
Vapor DensityRelative vapor density (air = 1): 3.5
Vapor Pressure2.49 [mmHg]
Physical Description
Colorless liquid; [ICSC]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 267 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Hexanol
1-Pentanol, methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
2-Hexanol: HSNO Approval: HSR001168 Approved with controls
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsFlammable. Above 41 °C explosive vapour/air mixtures may be formed.
Hazards Summary
Causes somnolence after oral doses to guinea pigs; Causes changes in peripheral nerve recordings after intraperitoneal doses to rats; [RTECS] A skin irritant; Can be absorbed through skin; Defats the skin; The substance may have effects on the nervous system, resulting in peripheral neuropathy. [ICSC] A mild skin irritant; [eChemPortal: ERMA] An irritant; Targets nerves; [MSDSonline] See n-Hexane.
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Chemistry & industry
Pharmacology
Metabolism/MetabolitesHexanol is a known human metabolite of hexane.
Uses & manufacturing
General Manufacturing Information
2-Hexanol: ACTIVE
1-Pentanol, methyl-: ACTIVE
Related reactions
25 records
Compound notes
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