Behenyl stearate
Basic information
- CAS
22413-03-2- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC- InChIKey
SRKUMCYSWLWLLS-UHFFFAOYSA-N- Molecular formula
- C40H80O2
- Average molar mass
- 593.1 g/mol
- Monoisotopic mass
- 592.61583179
Names & identifiers
- Preferred name
- Behenyl stearate
- IUPAC
- docosyl octadecanoate
- English name
- BEHENYL STEARATE
- Molecular formula
- C40H80O2
- Molecular weight
- 593.06
Names & synonyms
Behenyl stearatedocosyl octadecanoateDocosyl stearateStearic acid behenyl esterdocosanyl octadecanoateOctadecanoic acid, docosyl esterUNII-279BV3A4FK279BV3A4FKEINECS 244-971-0DTXSID5066794N-DOCOSYL N-OCTADECANOATEWE(22:0/18:0)
Show more names
DocosylstearatStearic acid docosyl esteroctadecanoicacid,docosylester
RefChem:116893DTXCID5036688SRKUMCYSWLWLLS-UHFFFAOYSA-N22413-03-2Stearic acid, docosyl esterBehenyl stearate, >=99%orb2939584SCHEMBL5502822
Database identifiers
- CAS
22413-03-2- PubChem CID
- 625175
- DTXSID
DTXSID5066794- UNII
- 279BV3A4FK
- EC Number
- 244-971-0
- Nikkaji
- J111.016K
Properties
Computed structural properties
- XLogP
- 19.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 38
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Stearates
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physical Description
Dry Powder; Large Crystals
Solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Density
- 0.984 · 0.984[at 20℃]
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 279 BV3A4FK · 279BV3A4FK
- EPA Substance Registry System
- Docosyl stearate (22413-03-2)
- WGK Germany
- -
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (113 of 113) of all reports.
Not Classified
Aggregated GHS information provided per 113 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, docosyl ester
Octadecanoic acid, docosyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, docosyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Docosyl stearate (EC: 244-971-0)
Other Safety InformationIMAP assessments - Octadecanoic acid, docosyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- -
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesOther
Industry UsesOther
General Manufacturing Information
Printing and Related Support Activities
Octadecanoic acid, docosyl ester: ACTIVE
Applications
UsesBehenyl stearate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers
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Related reactions
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Compound notes
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