Benzyl stearate
Basic information
- CAS
5531-65-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1- InChIKey
BPSLVNCMKDXZPC-UHFFFAOYSA-N- Molecular formula
- C25H42O2
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.31848058
Names & identifiers
- Preferred name
- Benzyl stearate
- IUPAC
- benzyl octadecanoate
- English name
- benzyl stearate
- Molecular formula
- C25H42O2
- Molecular weight
- 374.6
Names & synonyms
Benzyl stearateOctadecanoic acid, phenylmethyl esterEINECS 226-879-2UNII-78032NV0EGAI3-0211278032NV0EGDTXSID0063945STEARIC ACID, BENZYL ESTERRefChem:118900DTXCID3041871226-879-2BPSLVNCMKDXZPC-UHFFFAOYSA-N
Show more names
Benzyl octadecateBenzyl stearate - [X70136]
5531-65-7benzyl octadecanoateOctadecanoic Acid Phenylmethyl Esteroctadecanoic acid benzyl esterbenzylstearateStearic acid benzyl esterBenzyl stearate #Octadecanoicacid,phenylme
Database identifiers
- CAS
5531-65-7- PubChem CID
- 79659
- DTXSID
DTXSID0063945- UNII
- 78032NV0EG
- EC Number
- 226-879-2
- Nikkaji
- J161.156I
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 45.8 °C · 45.8 °C
- Boiling point
- 459.7 · 459.7±14.0 °C(Predicted)
- Density
- 0.9075 g/cm3 · 0.9075 g/cm3(Temp: 50 °C)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 78032 NV0EG · 78032NV0EG
- EPA Substance Registry System
- Octadecanoic acid, phenylmethyl ester (5531-65-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, phenylmethyl ester: ACTIVE
Applications
UsesThe benzyl stearate is aromatic ester widely used in the formulation of cosmetics with emollient proprieties.
Suppliers
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Related reactions
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Compound notes
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