Pinacol

C6H14O2CAS 76-09-5118.18 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C6H14O2
Molar mass
118.18 g/mol
Exact mass
118.0994 Da
Melting point
43 °C
Boiling point
174.4 °C
logP
0.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
76-09-5
SMILES
CC(C)(O)C(C)(C)O
InChIKey
IVDFJHOHABJVEH-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • 2,3-Butanediol, 2,3-dimethyl-
  • 2,3-Dimethyl-2,3-butanediol
  • Pinacone
  • Tetramethylethylene glycol
  • 2,3-Dihydroxy-2,3-dimethylbutane
  • 2,3-Dimethyl-2,3-dihydroxybutane
  • 1,1,2,2-Tetramethylethylene glycol
  • NSC 25943
  • 1,1,2,2-Tetramethylethane-1,2-diol

Work with Pinacol

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.

Pinacol hexahydrate6091-58-3Hydrate

Similar compounds

1,1,1-Trifluoro-2-methylpropan-2-ol507-52-853 % similar Chlorobutanol57-15-853 % similar 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate6001-64-544 % similar tert-Butyl alcohol75-65-038 % similar Neopentane463-82-136 % similar 2,5-Dimethyl-2,5-hexanediol110-03-231 % similar 2,5-Dimethyl-3-hexyne-2,5-diol142-30-331 % similar Zirconium(IV) t-butoxide2081-12-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Diethoxyethane105-57-7 2-Methyl-2,4-pentanediol107-41-5 2-Butoxyethanol111-76-2 1-Propoxy-2-propanol1569-01-3 (2R,5R)-2,5-Hexanediol17299-07-9 2,5-Hexanediol2935-44-6 (2S,5S)-(+)-Hexanediol34338-96-0 3-Methyl-1,5-pentanediol4457-71-0

Elsewhere

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