tert-Amyl alcohol

C5H12OCAS 75-85-488.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.8096 g/mL (at 20 °C)
Melting point
−8.8 °C
Boiling point
102.4 °C
Flash point
67 °C (closed cup)
Water solubility
miscible
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-007-00-2), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
75-85-4
SMILES
CCC(C)(C)O
InChIKey
MSXVEPNJUHWQHW-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Butanol, 2-methyl-
  • tert-Pentyl alcohol
  • 2-Methyl-2-butanol
  • Amylene hydrate
  • Dimethylethylcarbinol
  • tert-Pentanol
  • Ethyldimethylcarbinol
  • 1,1-Dimethyl-1-propanol
  • 2-Methyl-2-hydroxybutane
  • 2-Ethyl-2-propanol
  • 2-Hydroxy-2-methylbutane
  • NSC 25498

Work with tert-Amyl 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

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.

Potassium tert-amylate41233-93-6Salt Sodium 1,1-dimethylpropoxide14593-46-5Salt

Similar compounds

2,5-Dimethyl-2,5-hexanediol110-03-253 % similar 2-Methylpentan-2-ol590-36-350 % similar 2-Methylhexan-2-ol625-23-048 % similar 2-Methylpropane-1,2-diol558-43-047 % similar 3-Methyl-3-pentanol77-74-747 % similar 1-Amino-2-methyl-2-propanol2854-16-245 % similar 1-Chloro-2-methylpropan-2-ol558-42-945 % similar 3-Ethyl-3-pentanol597-49-944 % 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