Basic information
- CAS
4125-23-9- Standard SMILES
C=C(C=O)CCCCC- InChIKey
LDGVIXYITWDQFB-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- Heptanal, 2-methylene-
- IUPAC
- 2-methylideneheptanal
- English name
- 2-methyleneheptan-1-al
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
Heptanal, 2-methylene-RefChem:7836482-Methyleneheptan-1-al2-methyleneheptanal4125-23-92-methylideneheptanalEINECS 223-933-72-methylene heptanal2-Methylene-heptanalB3V8AV4LW7SCHEMBL1135913SCHEMBL2529652
Show more names
DTXSID20194172NS00030948
Database identifiers
- CAS
4125-23-9- PubChem CID
- 77776
- DTXSID
DTXSID20194172- UNII
- B3V8AV4LW7
- EC Number
- 223-933-7
- Nikkaji
- J224.938C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.7
Physicochemical properties
- Boiling point
- 59 °C · 59 °C(Press: 13 Torr)
- Density
- 0.8562 g/cm3 · 0.8562 g/cm3(Temp: 14 °C)
- LogP
- 2.67 · 2.670 (est)
- FDA UNII
- 3 V8AV4LW7 · B3V8AV4LW7
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: Heptanal, 2-methylene-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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