chempirical

Jasmone

C11H16OCAS 488-10-8164.25 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
Density
0.9466 g/mL (at 15 °C)
Boiling point
258 °C
Flash point
107 °C (closed cup)
Water solubility
slightly soluble
logP
3.02Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,906 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
488-10-8
SMILES
CC/C=CCC1=C(C)CCC1=O
InChIKey
XMLSXPIVAXONDL-PLNGDYQASA-N
InChI
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-

Weigh it out

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

Names and synonyms

12 names
  • 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-penten-1-yl-
  • 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-
  • 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
  • 3-Methyl-2-(2Z)-2-penten-1-yl-2-cyclopenten-1-one
  • 3-Methyl-2-n-penten-2′-ylcyclopenten-2-one
  • 3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
  • cis-Jasmone
  • (Z)-Jasmone
  • 3-Methyl-2-(2-cis-pentenyl)-2-cyclopenten-1-one
  • 3-Methyl-2-(cis-2-pentenyl)-2-cyclopenten-1-one
  • (Z)-3-Methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one
  • SS-PD 41104-1

Work with Jasmone

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

Dihydrojasmone1128-08-149 % similar trans-3-Hexenoic acid1577-18-042 % similar 2-Hydroxy-3-methyl-2-cyclopenten-1-one80-71-738 % similar Ethyl 3-hexenoate2396-83-038 % similar 3-Hexenyl acetate1708-82-333 % similar cis-3-Hexenyl acetate3681-71-833 % similar 3-Hexene592-47-233 % similar 4,7,10,13,16,19-Docosahexaenoic acid2091-24-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 1-Adamantanecarboxaldehyde2094-74-8 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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