Basic information
- CAS
65737-52-2- Standard SMILES
CCCCCC=CCC1CCCC1=O- InChIKey
QHEUOYOHVATZEB-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 2-(2-Octen-1-yl)cyclopentanone
- IUPAC
- 2-oct-2-enylcyclopentan-1-one
- English name
- FEMA 3889
- Molecular formula
- C13H22O
- Molecular weight
- 194.31
Names & synonyms
65737-52-2RefChem:2509982-(2-Octen-1-yl)cyclopentanoneCyclopentanone, 2-(2-octen-1-yl)-octen-1-yl cyclopentanoneSCHEMBL120123DTXSID60886302QHEUOYOHVATZEB-UHFFFAOYSA-N2-(oct-2-en-1-yl)cyclopentan-1-oneNS00055577Cyclopentanone, 2-(2-octenyl)-FEMA 3889
Show more names
Ai3-36078Einecs 265-901-5OCTENYL CYCLOPENTANONE2-(2-Octenyl)-cyclopentanone(E)-2-(2-OCTENYL)CYCLOPENTANONE2-(oct-2-enyl)cyclopentan-1-one
Database identifiers
- CAS
65737-52-2- PubChem CID
- 103447
- DTXSID
DTXSID60886302- EC Number
- 265-901-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
Density0.880-0.900
Solubility
insoluble in water; soluble in hexane and fats
Miscible at room temperature (in ethanol)
Boiling Point85 °C (2 mm Hg)
Refractive Index1.455-1.475
Physical DescriptionColourless liquid; peachy jasmine character
Physicochemical properties
- FEMA
- 3889 · 3889 | (E)-2-(2-OCTENYL)CYCLOPENTANONE
- Odor
- 100 % · at 100.00 %. fruity green fatty peach jasmin
- Odor Type
- fruity
- JECFA Number
- 1116 · 1116
- LogP
- 4 · 4.00
- FDA UNII
- 9 G0420C2LU · 9G0420C2LU
- EPA Substance Registry System
- 2 · Cyclopentanone, 2-(2-octenyl)- (65737-52-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Cyclopentanone, 2-(2-octenyl)-
Cyclopentanone, 2-(2-octenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationCyclopentanone, 2-(2-octen-1-yl)-: ACTIVE
Suppliers6 total
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Xiamen Work-For-World Medicine Co.,Ltd.15921822462 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
BOC Sciences[email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
厦门沃克沃德医药科技有限公司15921822462 15921822462 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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