Sulcatone

C8H14OCAS 110-93-0126.20 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Density
0.8516 g/mL (at 20 °C)
Melting point
173.5 °C
Boiling point
170–173 °C
Flash point
57.2 °C
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,822 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
110-93-0
SMILES
CC(=O)CCC=C(C)C
InChIKey
UHEPJGULSIKKTP-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 5-Hepten-2-one, 6-methyl-
  • 6-Methyl-5-hepten-2-one
  • 2-Methyl-6-oxo-2-heptene
  • 6-Methyl-δ5-hepten-2-one
  • 2-Methyl-2-hepten-6-one
  • 6-Methyl-5-heptene-2-one
  • 2-Methyl-2-heptene-6-one
  • 2-Oxo-6-methylhept-5-ene
  • 2-Methyl-2-heptene-6-ketone
  • Methylheptenone
  • NSC 15294
  • NSC 66569
  • Prenylacetone
  • 6-Methyl-5-hepten-2-ketone
  • Isoprenylacetone

Work with Sulcatone

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

Farnesylacetone1117-52-880 % similar Geranylacetone3796-70-180 % similar Teprenone6809-52-580 % similar 6,10-Dimethyl-5,9-undecadien-2-one689-67-880 % similar 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one762-29-880 % similar 5-Hexene-2-one109-49-954 % similar Hexane-2,5-dione110-13-452 % similar 2,7-Dimethyl-2,6-octadiene16736-42-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0 2,6-Dimethylcyclohexanone2816-57-1

Elsewhere

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