Basic information
- CAS
120657-54-7- Standard SMILES
CC(C)CCCCCCCOC(=O)c1ccccc1- InChIKey
HNDYULRADYGBDU-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Names & identifiers
- Preferred name
- Benzoic acid, isodecyl ester
- IUPAC
- 8-methylnonyl benzoate
- English name
- Isodecyl benzoate
- Molecular weight
- 0
Names & synonyms
120657-54-7Benzoic acid, isodecyl esterDTXSID00152957RefChem:118508DTXCID5075448Isodecyl benzoate8-methylnonyl benzoateBenzoic acid, isodecylesterSCHEMBL21829MFCD00084794AKOS025296277H84126
Database identifiers
- CAS
120657-54-7- PubChem CID
- 3078322
- DTXSID
DTXSID00152957- Nikkaji
- J1.054.374F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- LogP
- 6.554 · 6.554 (est)
- EWG's Food Scores
- 1 · 1
Safety & regulation
Hazard information
Regulatory InformationBenzoic acid, isodecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Suppliers1 total
常州宣叶科技有限公司15195022192 · [email protected]
Related reactions
3 records
Compound notes
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