Octyldodecyl Benzoate
Basic information
- CAS
108347-89-3- Standard SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)c1ccccc1- InChIKey
LNRUVXAPKCPQGX-UHFFFAOYSA-N- Molecular formula
- C27H46O2
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 402.34978071
Names & identifiers
- Preferred name
- Octyldodecyl Benzoate
- IUPAC
- 2-octyldodecyl benzoate
Names & synonyms
2-octyldodecyl benzoateOctyldodecyl Benzoate1-Dodecanol, 2-octyl-, benzoate1-Dodecanol, 2-octyl-, 1-benzoateUNII-R04N7AS5EAR04N7AS5EAFINSOLV BODOCTODODECYL BENZOATE214680-48-5DTXSID00275832DTXSID40888829RefChem:167913
Show more names
DTXCID30876235DTXCID70227202OCTYLDODECYL BENZOATE [INCI]108347-89-3SCHEMBL420818LNRUVXAPKCPQGX-UHFFFAOYSA-NQ27287592
Database identifiers
- CAS
108347-89-3、214680-48-5- PubChem CID
- 86107
- DTXSID
DTXSID00275832- UNII
- R04N7AS5EA
- Nikkaji
- J1.555.894F
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Octyldodecyl Benzoate) -> CIR (Cosmetic Ingredient Review)
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 Information
Chemical: 1-Dodecanol, 2-octyl-, benzoate
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Octyldodecyl Benzoate
General Manufacturing Information1-Dodecanol, 2-octyl-, 1-benzoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…