Basic information
- CAS
61229-06-9- Standard SMILES
CC(C)/C=C/CCCC(=O)O- InChIKey
UZMDRLPRUQGXMQ-GQCTYLIASA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- trans-7-Methyl-5-octenoic acid
- IUPAC
- (E)-7-methyloct-5-enoic acid
- English name
- Capsaicin Impurity 3
- Molecular formula
- C9H16O2
- Molecular weight
- 156.23
Names & synonyms
trans-7-Methyl-5-octenoic acid(E)-7-methyloct-5-enoic Acid5-Octenoic acid, 7-methyl-61229-06-95-Octenoic acid, 7-methyl-, (E)-62356-04-1SCHEMBL2209155UZMDRLPRUQGXMQ-GQCTYLIASA-NValine Impurity 86Capsaicin Impurity 35-Octenoic acid, 7-methyl-, (E)- (9CI)
Database identifiers
- CAS
61229-06-9- PubChem CID
- 6442575
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 253.2 · 253.2±9.0 °C(Predicted)
- Density
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemistry & industry
Suppliers4 total
济南百隆化学有限公司[email protected] · [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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