3,6-Dimethyl-1-heptyn-3-ol
Properties
- Molecular formula
- C9H16O
- Molar mass
- 140.23 g/mol
- Exact mass
- 140.1201 Da
- logP
- 1.81Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation95.7% of notifiers
- H319 Causes serious eye irritation95.7% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 23 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
19549-98-5SMILES
C#CC(C)(O)CCC(C)CInChIKey
COWFALGRNJAHKW-UHFFFAOYSA-NInChI
InChI=1S/C9H16O/c1-5-9(4,10)7-6-8(2)3/h1,8,10H,6-7H2,2-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1-Heptyn-3-ol, 3,6-dimethyl-
- Surfynol 72
- NSC 15980
Work with 3,6-Dimethyl-1-heptyn-3-ol
Similar compounds
3,5-Dimethyl-1-hexyn-3-ol107-54-068 % similar
3-Methyl-1-pentyn-3-ol77-75-852 % similar
2,5-Dimethyl-2-hexanol3730-60-748 % similar
2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-347 % similar
2,2,5-Trimethylhexane3522-94-943 % similar
3,6-Dimethyl-3-heptanol1573-28-042 % similar
2,6-Dimethyl-2-heptanol13254-34-742 % similar
3,4-Dimethyl-1-pentyn-3-ol1482-15-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.