Basic information
- CAS
103403-38-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1- InChIKey
IACXYDVFQDGXJF-UHFFFAOYSA-N- Molecular formula
- C29H50O2
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 430.38108083
Names & identifiers
- Preferred name
- Behenyl Benzoate
- IUPAC
- docosyl benzoate
- English name
- BEHENYL BENZOATE
- Molecular formula
- C29H50O2
- Molecular weight
- 430.71
Names & synonyms
Behenyl benzoatedocosyl benzoate1-Docosanol, 1-benzoate1-Docosanol, benzoateUNII-DQG8119XKJDQG8119XKJFinsolv 137DTXSID60883119BENZOIC ACID, DOCOSYL ESTERRefChem:116887BEHENYL BENZOATE [INCI]DTXCID001022693
Show more names
IACXYDVFQDGXJF-UHFFFAOYSA-N103403-38-9SCHEMBL20822083NS00013395Q27276540
Database identifiers
- CAS
103403-38-9- PubChem CID
- 3025489
- DTXSID
DTXSID60883119- UNII
- DQG8119XKJ
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Kovats Retention Index3264
Physicochemical properties
- Boiling point
- 518.3 · 518.3±18.0 °C(Predicted)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENTANTIMICROBIAL
- Cosmetic Ingredient Review (CIR)
- BEHENYL BENZOATE (103403-38-9)
- LogP
- 12.824 · 12.824 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8119 XKJ · DQG8119XKJ
- EPA Substance Registry System
- 1 · 1-Docosanol, benzoate (103403-38-9)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
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
Regulatory information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Behenyl Benzoate
Use ClassificationCosmetics -> Skin conditioning; Emollient
General Manufacturing Information1-Docosanol, 1-benzoate: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
BOC Sciences[email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
2 records
Compound notes
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