Basic information
- CAS
61229-07-0- Standard SMILES
CC(C)/C=C/CCC(=O)O- InChIKey
XRWKLHBLBKWGDG-HWKANZROSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- trans-6-Methyl-4-heptenoic acid
- IUPAC
- (E)-6-methylhept-4-enoic acid
- English name
- Capsaicin Impurity 2
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
61229-07-0(E)-6-methylhept-4-enoic Acidtrans-6-Methyl-4-heptenoic acid(4E)-6-methylhept-4-enoic acid(4E)-6-methylhept-4-enoicacid4-Heptenoic acid, 6-methyl-, (E)-SCHEMBL2207675EN300-2033520Valine Impurity 85Capsaicin Impurity 24-Heptenoic acid, 6-methyl-, (4E)-
Database identifiers
- CAS
61229-07-0- PubChem CID
- 6442576
- Nikkaji
- J2.904.011G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 232.5 · 232.5±9.0 °C(Predicted)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
Chemistry & industry
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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