2,5-Dimethyl-2-hexanol

C₈H₁₈OCAS 3730-60-7130.23 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.8158 g/mL (at 20 °C)
Boiling point: 154.5 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor11.6% of notifiers
H302 Harmful if swallowed88.4% of notifiers
H315 Causes skin irritation88.4% of notifiers
H318 Causes serious eye damage88.4% of notifiers
H335 May cause respiratory irritation88.4% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3730-60-7

SMILES

CC(C)CCC(C)(C)O

InChIKey

JPUIYNHIEXIFMV-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

3 names

2-Hexanol, 2,5-dimethyl-
NSC 5594
2,5-Dimethylhexan-2-ol

Work with 2,5-Dimethyl-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

Similar compounds

2,6-Dimethyl-2-heptanol13254-34-777 % similar 2,5-Dimethyl-2,5-hexanediol110-03-255 % similar 2,2,5-Trimethylhexane3522-94-952 % similar 3,6-Dimethyl-3-heptanol1573-28-050 % similar 3,6-Dimethyl-1-heptyn-3-ol19549-98-548 % similar 3,7-Dimethyl-1,7-octanediol107-74-447 % similar Isopentyldiol2568-33-446 % similar 2-Methylpentan-2-ol590-36-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 4-Ethyl-3-hexanol19780-44-0 3-Octanol20296-29-1

Elsewhere

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