2-Methyl-1-pentanol

C₆H₁₄OCAS 105-30-6102.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.8263 g/mL (at 20 °C)
Boiling point: 148 °C
Flash point: 53.9 °C (closed cup)
Water solubility: 3.1 g/L
logP: 1.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor54.1% of notifiers
H302 Harmful if swallowed73% of notifiers
H315 Causes skin irritation27% of notifiers
H318 Causes serious eye damage18.9% of notifiers
H319 Causes serious eye irritation27% of notifiers
H335 May cause respiratory irritation27% of notifiers

Aggregated from 74 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

105-30-6

SMILES

CCCC(C)CO

InChIKey

PFNHSEQQEPMLNI-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-3-4-6(2)5-7/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

6 names

1-Pentanol, 2-methyl-
2-Methylpentanol-1
2-MPOH
(±)-2-Methylpentanol
(±)-2-Methyl-1-pentanol
NSC 6250

Work with 2-Methyl-1-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

Similar compounds

4-Methylheptane589-53-763 % similar (2R)-2-Methyl-1,4-butanediol22644-28-659 % similar (S)-2-Methyl-1,4-butanediol70423-38-059 % similar 2-Methyl-1,3-propanediol2163-42-058 % similar 2-Methyl-1-butanol137-32-655 % similar (S)-2-Methyl-1-butanol1565-80-655 % similar 2-Methyl-1-butanol34713-94-555 % similar 3-Methylhexane589-34-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3 (S)-(+)-2-Hexanol52019-78-0

Elsewhere

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