Glycerylstearatecitrate
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Basic information
- CAS
39175-72-9- Standard SMILES
CCCCCCCCCCCCCCCCC(CC(O)CO)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
BIHMAMDQIBRUNC-UHFFFAOYSA-M- Molecular formula
- C27H49O11-
- Average molar mass
- 549.7 g/mol
- Monoisotopic mass
- 549.32748737
Names & identifiers
- Preferred name
- Glycerylstearatecitrate
- IUPAC
- 2-(2,3-dihydroxypropyl)octadecanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- GLYCERYLSTEARATECITRATE
- Molecular weight
- 0
Names & synonyms
GLYCERYLSTEARATECITRATE39175-72-92-(2,3-Dihydroxypropyl)octadecanoate;2-hydroxypropane-1,2,3-tricarboxylic acidBIHMAMDQIBRUNC-UHFFFAOYSA-MDTXSID701371417Glycerol monostearate monocitrate1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monoester with 1,2,3-propanetriol monooctadecanoate1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ester with 1,2,3-propanetriol monooctadecanoate (1:1)
Database identifiers
- CAS
39175-72-9- PubChem CID
- 22378403
- DTXSID
DTXSID701371417- EC Number
- 686-496-5
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 23
- Heavy atoms
- 38
- Formal charge
- -1
- Complexity
- 515
Physicochemical properties
- FDA UNII
- 8 T92A065 · WH8T92A065
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% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ester with 1,2,3-propanetriol monooctadecanoate (1:1): 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.
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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