2-Methylpentan-2-ol

C₆H₁₄OCAS 590-36-3102.18 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.835 g/mL (at 15.5 °C)
Melting point: −103 °C
Boiling point: 121.1 °C
logP: 1.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

590-36-3

SMILES

CCCC(C)(C)O

InChIKey

WFRBDWRZVBPBDO-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

10 names

2-Methyl-2-pentanol
2-Pentanol, 2-methyl-
2-Hydroxy-2-methylpentane
1,1-Dimethylbutanol
2-Methyl-2-hydroxypentane
1,1-Dimethyl-1-butanol
2-Methyl-2-amyl alcohol
NSC 8686
4-Hydroxy-4-methylpentane
4-Methyl-4-pentanol

Work with 2-Methylpentan-2-ol

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-Methylhexan-2-ol625-23-074 % similar 2,5-Dimethyl-2,5-hexanediol110-03-265 % similar Isopentyldiol2568-33-452 % similar tert-Amyl alcohol75-85-450 % similar 2-Methyldecane-2,5-diol53731-34-348 % similar 2-Methyl-4-phenyl-2-butanol103-05-946 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-446 % similar 2,5-Dimethyl-2-hexanol3730-60-746 % 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 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3

Elsewhere

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