1-Methylcyclopentanol

C₆H₁₂OCAS 1462-03-9100.16 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.9238 g/mL (at 16 °C)
Melting point: 36 °C
Boiling point: 136 °C
logP: 1.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid95.8% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation12.5% of notifiers
H318 Causes serious eye damage83.3% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

1462-03-9

SMILES

CC1(O)CCCC1

InChIKey

CAKWRXVKWGUISE-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

7 names

Cyclopentanol, 1-methyl-
1-Methyl-1-cyclopentanol
1-Hydroxy-1-methylcyclopentane
NSC 23230
1-Methylcyclopentan-1-ol
1-Methyl-1-hydroxycyclopentane
1-Methylcyclopentyl alcohol

Work with 1-Methylcyclopentanol

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

1-Methylcyclohexanol590-67-093 % similar 5-Methyl-5-nonanol33933-78-768 % similar 4-Methyl-4-nonanol23418-38-467 % similar 3-Methyl-3-octanol5340-36-357 % similar 4-Methylpiperidin-4-ol3970-68-155 % similar 3-Methyl-3-nonanol21078-72-854 % similar 3-Methyl-3-heptanol5582-82-152 % similar 4-Methylpiperidin-4-ol hydrochloride586375-35-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook