Basic information
- CAS
4560-68-3- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC- InChIKey
PFSILXVOQAJFIK-UHFFFAOYSA-N- Molecular formula
- C54H104O7
- Average molar mass
- 865.4 g/mol
- Monoisotopic mass
- 864.77820567
Names & identifiers
- Preferred name
- Trihexadecyl citrate
- IUPAC
- trihexadecyl 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- trihexadecyl citrate
- Molecular formula
- C54H104O7
- Molecular weight
- 865.4
Names & synonyms
Trihexadecyl citrate4560-68-3EINECS 224-931-9DTXSID80196571RefChem:899637DTXCID20119062224-931-9trihexadecyl 2-hydroxypropane-1,2,3-tricarboxylatetricetyl citrateSCHEMBL43835NS000141733-hexadecyloxycarbonyl-3-hydroxypentanedioic acid dihexadecyl ester
Show more names
tripalmityl citrate2-Hydroxy-1,2,3-propanetricarboxylic acid trihexadecyl ester1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-trihexadecyl ester
Database identifiers
- CAS
4560-68-3- PubChem CID
- 6452032
- DTXSID
DTXSID80196571- EC Number
- 224-931-9
- Nikkaji
- J297.817B
Properties
Computed structural properties
- XLogP
- 22.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 53
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 888
Experimental & physicochemical properties
CosmeticsSkin conditioning; Emollient
Physicochemical properties
- Boiling point
- 788.6 · 788.6±27.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- vapor pressure
- 640 · 640-940kPa at 20-25℃
- form
- Liquid
- pka
- 11.29 · 11.29±0.29(Predicted)
- LogP
- 7.27 at · 7.27 at 24.9℃ and pH5.61-9.27
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
H413 (66.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 04-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25760
Hazard Classes and CategoriesAquatic Chronic 4 (66.7%)
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Skin conditioning; Emollient
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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