Basic information
- CAS
6714-00-7- Standard SMILES
CC=CCCC(C)=O- InChIKey
RTYRONIMTRDBLT-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 5-Hepten-2-one
- IUPAC
- hept-5-en-2-one
- English name
- hept-5-en-2-one
- Molecular formula
- C7H12O
- Molecular weight
- 112.16958
Names & synonyms
6714-00-7DTXSID0064460RefChem:1072943DTXCID50448675-Hepten-2-onehept-2-en-6-oneSCHEMBL673248SCHEMBL1072838SCHEMBL1072840NS00036095hept-5-en-2-one(E)-hept-5-en-2-one
Database identifiers
- CAS
6714-00-7- PubChem CID
- 23178
- DTXSID
DTXSID0064460- EC Number
- 229-768-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.6
Physicochemical properties
- LogP
- 1.529 · 1.529 (est)
- FDA UNII
- 1 BH6T9S · YGD1BH6T9S
- EPA Substance Registry System
- 5 · 5-Hepten-2-one (6714-00-7)
- TSCA
- TSCA listed
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 InformationChemical: 5-Hepten-2-one
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Hepten-2-one: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 5-Hepten-2-one is a ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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