Neopentyl alcohol

C₅H₁₂OCAS 75-84-388.15 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₅H₁₂O
Molar mass: 88.15 g/mol
Exact mass: 88.0888 Da
Density: 0.812 g/mL (at 20 °C)
Melting point: 53 °C
Boiling point: 114 °C
Flash point: 36.7 °C (closed cup)
Water solubility: miscible
logP: 1.02Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor23.8% of notifiers
H228 Flammable solid60.5% of notifiers
H319 Causes serious eye irritation21.1% of notifiers
H332 Harmful if inhaled80.5% of notifiers
H335 May cause respiratory irritation81.1% of notifiers

Aggregated from 185 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

75-84-3

SMILES

CC(C)(C)CO

InChIKey

KPSSIOMAKSHJJG-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

1-Propanol, 2,2-dimethyl-
2,2-Dimethyl-1-propanol
tert-Butylcarbinol
Neoamyl alcohol
Neopentanol
2,2-Dimethylpropyl alcohol
α,α-Dimethylpropanol
2,2,2-Trimethylethanol

Reactions

NEOPENTYL ALCOHOL (2,2-Dimethyl-1-propanol)product

Work with Neopentyl alcohol

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

Trimethylolethane77-85-053 % similar Neopentyl glycol126-30-750 % similar 1-Methylcyclopropanemethanol2746-14-747 % similar 2-Methyl-1,2-propanediol558-43-044 % similar 3,3-Dimethyl-1-butanol624-95-344 % similar 1,1-Cyclopropanedimethanol39590-81-344 % similar 2-Amino-2-methyl-1,3-propanediol115-69-542 % similar Aminomethyl propanol124-68-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 1-Pentanol30899-19-5 (2R)-Pentan-2-ol31087-44-2 2-Methyl-1-butanol34713-94-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia