2-Hexanol

C₆H₁₄OCAS 626-93-7102.18 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.8 g/mL
Melting point: 71–72 °C
Boiling point: 136 °C
Flash point: 41 °C
logP: 1.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302+H312 Harmful if swallowed or in contact with skin39% of notifiers
H302 Harmful if swallowed42.3% of notifiers
H312 Harmful in contact with skin39% of notifiers
H315 Causes skin irritation56.9% of notifiers
H319 Causes serious eye irritation96.6% of notifiers
H335 May cause respiratory irritation56.9% of notifiers

Aggregated from 267 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

626-93-7

SMILES

CCCCC(C)O

InChIKey

QNVRIHYSUZMSGM-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

2-Hydroxyhexane
(±)-2-Hexanol
DL-Hexan-2-ol
(±)-1-Methyl-1-pentanol
NSC 3706

Work with 2-Hexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-2-Hexanol26549-24-6Defined stereoisomer (S)-(+)-2-Hexanol52019-78-0Defined stereoisomer

Similar compounds

2-Heptanol543-49-785 % similar (+)-2-Heptanol6033-23-485 % similar (R)-(-)-2-Heptanol6033-24-585 % similar (±)-2-Dodecanol10203-28-881 % similar (±)-2-Decanol1120-06-581 % similar 2-Octanol123-96-681 % similar (±)-2-Undecanol1653-30-181 % similar 2-Octanol4128-31-881 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-n-propyl ether111-43-3 (2R)-4-Methylpentan-2-ol16404-54-9 Pinacolyl alcohol464-07-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia