4-Methyl-2-pentanol

C6H14OCAS 108-11-2102.18 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
Density
0.8075 g/mL (at 20 °C)
Melting point
−90 °C
Boiling point
133 °C
Flash point
41 °C (open cup)
Water solubility
20 g/L
logP
1.41Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-008-00-8), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
108-11-2
SMILES
CC(C)CC(C)O
InChIKey
WVYWICLMDOOCFB-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 2-Pentanol, 4-methyl-
  • 3-MIC
  • Isobutylmethylmethanol
  • MAOH
  • 2-Methyl-4-pentanol
  • MIBC
  • MIC
  • Methylisobutylcarbinol
  • Isobutylmethylcarbinol
  • 4-Methyl-2-pentyl alcohol
  • 1,3-Dimethyl-1-butanol
  • 4-Methyl-2-amyl alcohol
  • Dl-Methylisobutylcarbinol
  • (±)-4-Methyl-2-pentanol
  • NSC 9384
  • 1,3-Dimethylbutyl alcohol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-11-2. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 4-Methyl-2-pentanol

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.

(2R)-4-Methylpentan-2-ol16404-54-9Defined stereoisomer

Similar compounds

(2R,4R)-(-)-Pentanediol42075-32-169 % similar 2,4-Pentanediol625-69-469 % similar (2S,4S)-(+)-Pentanediol72345-23-469 % similar 5-Methyl-2-hexanol627-59-855 % similar 2,6-Dimethyl-4-heptanol108-82-753 % similar 2,4-Dimethylpentane108-08-750 % similar (2R,5R)-2,5-Hexanediol17299-07-950 % similar 2,5-Hexanediol2935-44-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-n-propyl ether111-43-3 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3 (S)-(+)-2-Hexanol52019-78-0

Elsewhere

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