Basic information
- CAS
18990-72-2- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]- InChIKey
BBMXVTPBLPQMAE-UHFFFAOYSA-K- Molecular formula
- C66H129AlO6
- Average molar mass
- 1,045.7 g/mol
- Monoisotopic mass
- 1,044.9604552
Names & identifiers
- Preferred name
- Aluminum behenate
- IUPAC
- aluminum docosanoate
- English name
- aluminium tridocosanoate
- Molecular formula
- C22H47AlO2
- Molecular weight
- 370.6
Names & synonyms
Aluminum behenate18990-72-2aluminum docosanoateUNII-F6S45L9CH9Docosanoic acid, aluminum saltF6S45L9CH9EINECS 242-726-2DTXSID6066444BEHENIC ACID ALUMINUM SALTRefChem:111647ALUMINUM BEHENATE [INCI]DTXCID1035991
Show more names
Behenic acid aluminium saltTridocosanoic acid aluminum salt
242-726-2Aluminium tridocosanoatealuminum;docosanoateDocosanoic acid, aluminum salt (3:1)SCHEMBL932464BBMXVTPBLPQMAE-UHFFFAOYSA-KNS00086085Q27277725
Database identifiers
- CAS
18990-72-2- PubChem CID
- 167779
- DTXSID
DTXSID6066444- UNII
- F6S45L9CH9
- EC Number
- 242-726-2
- Nikkaji
- J110.147A
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 57
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
CosmeticsOpacifying; Viscosity controlling
Physicochemical properties
- Cosmetics Ingredients Functions
- EMULSION STABILISINGVISCOSITY CONTROLLINGANTICAKINGOPACIFYING
- LogP
- 10.342 · 10.342 (est)
- EWG's Food Scores
- 3 · 3-4
- FDA UNII
- 6 S45L9CH9 · F6S45L9CH9
- EPA Substance Registry System
- Aluminum behenate (18990-72-2)
- 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.
Hazard information
Regulatory InformationChemical: Docosanoic acid, aluminium salt
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Opacifying; Viscosity controlling
General Manufacturing InformationDocosanoic acid, aluminum salt (3:1): INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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