3,5-Dimethyl-1-hexyn-3-ol

C8H14OCAS 107-54-0126.20 g/mol

OH
AlcoholAlkyne

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Density
0.859 g/mL (at 12 °C)
Boiling point
148 °C
logP
1.42Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 193 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
107-54-0
SMILES
C#CC(C)(O)CC(C)C
InChIKey
NECRQCBKTGZNMH-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Hexyn-3-ol, 3,5-dimethyl-
  • Surfynol 61
  • 3,5-Dimethylhexyn-3-ol
  • NSC 978
  • Surfynol S 61
  • 3,5-Dimethyl-1-hexyne-3-ol
  • Surfinol 61

Work with 3,5-Dimethyl-1-hexyn-3-ol

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere