(Z)-5-Octen-2-one
Basic information
- CAS
22610-86-2- Standard SMILES
CC/C=C\CCC(C)=O- InChIKey
NBFKNCBRFJKDDR-PLNGDYQASA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
5-Octen-2-one is a ketone.
Names & identifiers
- Preferred name
- (Z)-5-Octen-2-one
- IUPAC
- (Z)-oct-5-en-2-one
Names & synonyms
(Z)-5-octen-2-oneRefChem:4086565-Octen-2-one(Z)-oct-5-en-2-one5-OCten-2-one, (Z)-(5Z)-oct-5-en-2-one22610-86-2(5Z)-5-Octen-2-oneSCHEMBL9651209CHEBI:172007DTXSID201014525
Database identifiers
- CAS
22610-86-2、36359-70-3- PubChem CID
- 5352779
- DTXSID
DTXSID201014525- ChEBI
CHEBI:172007
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Boiling Point115.00 °C. @ 760.00 mm Hg
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Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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