Basic information
- CAS
76058-49-6- Standard SMILES
CCCCCC(C=O)CCC- InChIKey
FEFNFOUJRMDJFO-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2-Propylheptanal
- IUPAC
- 2-propylheptanal
- English name
- 2-propylheptan-1-al
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
2-propylheptanal2-Propylheptan-1-al76058-49-6DTXSID60997386RefChem:1064597DTXCID001424390278-366-8Heptanal, 2-propyl-EINECS 278-366-8MFCD246738202-Propyl-2-heptenal (Technical Grade)2-propyl-heptanal
Show more names
starbld0005319SCHEMBL184890SCHEMBL5472969U9F6G47PDSY058766DB-261414NS00058386H84141
Database identifiers
- CAS
76058-49-6- PubChem CID
- 3018634
- DTXSID
DTXSID60997386- UNII
- 9U9F6G47PD
- EC Number
- 278-366-8
- Nikkaji
- J319.167B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 88.9
Physicochemical properties
- Boiling point
- 199 °C · 199 °C
- Density
- 0.816 · 0.816±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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