Basic information
- CAS
17671-27-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC- InChIKey
NJIMZDGGLTUCPX-UHFFFAOYSA-N- Molecular formula
- C44H88O2
- Average molar mass
- 649.2 g/mol
- Monoisotopic mass
- 648.67843205
Overview
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Behenyl Behenate
- IUPAC
- docosyl docosanoate
- English name
- BEHENYL BEHENATE
- Molecular formula
- C44H88O2
- Molecular weight
- 649.17
Names & synonyms
Behenyl behenateDocosyl docosanoateDocosanoic acid, docosyl esterdocosanyl docosanoatedocosyl behenatePelemol BBStarfol BBUNII-K8NU647RJ0K8NU647RJ0EINECS 241-646-5Behenic acid behenyl esterDTXSID0066242
Show more names
DocosyldocosanoatBehenyl Behenate，99%Docosanoicacid,docosylesterBehenyl Behenate(C22:0-C22:0)behenicacidbehenylestercrystalline
EC 241-646-5WE(22:0/22:0)RefChem:116886BEHENYL BEHENATE [INCI]DTXCID4035625NJIMZDGGLTUCPX-UHFFFAOYSA-N17671-27-1Docosanoic acid,docosyl ester
Database identifiers
- CAS
17671-27-1- PubChem CID
- 87221
- DTXSID
DTXSID0066242- UNII
- K8NU647RJ0
- EC Number
- 241-646-5
- Nikkaji
- J287.109B
Properties
Computed structural properties
- XLogP
- 21.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 42
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 544
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics
Cosmetic ingredients (Behenyl Behenate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical Description
Dry Powder; Large Crystals; Dry Powder; Large Crystals; CBI
Solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 627.1 · 627.1±23.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- 20 °C · −20°C
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
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% (221 of 221) of all reports.
Not Classified
Aggregated GHS information provided per 221 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Docosanoic acid, docosyl ester
Docosanoic acid, docosyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosanoic 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 docosanoate (EC: 241-646-5)
Docosanoic acid, docosyl 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.
Other Safety InformationIMAP assessments - Docosanoic acid, docosyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Behenyl Behenate
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPigment
Industry UsesOther
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Docosanoic acid, docosyl ester: ACTIVE
Applications
UsesBehenyl Behenate is a wax ester. Behenyl Behenate has possible applications as a non-hazardous, biodegradable industrial wood coating.
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
Related reactions
3 records
Compound notes
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