Basic information
- CAS
7147-34-4- Standard SMILES
CCCCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC- InChIKey
DUHIKWRPAQIIBL-UHFFFAOYSA-N- Molecular formula
- C30H56O7
- Average molar mass
- 528.8 g/mol
- Monoisotopic mass
- 528.40260412
Names & identifiers
- Preferred name
- Triethylhexyl Citrate
- IUPAC
- tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- Tris(2-ethylhexyl)citrate
- Molecular formula
- C30H56O7
- Molecular weight
- 528.76
Names & synonyms
7147-34-4triethylhexyl citrateCitric acid, tris(2-ethylhexyl) estertris(2-ethylhexyl) citrateUNII-ZS6ME39S45ZS6ME39S45NIKKOL STO1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(2-ethylhexyl) esterBERNEL ESTER TOCEINECS 230-457-3NSC-25386NSC 25386
Show more names
CITRICACID,TRIS(2-ETHYLHEXYL)ESTERtris(2-Ethylhexyl)2-hydroxypropane-1,2,3-tricarboxylate2-Hydroxy-1,2,3-propanetricarboxylic acid tris(2-ethylhexyl) ester
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2,3-TRIS(2-ETHYLHEXYL) ESTERRefChem:191540TRIETHYLHEXYL CITRATE [INCI]230-457-3Tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-ethylhexyl) esterNSC25386tri(2-ethylhexyl) citrate
Database identifiers
- CAS
7147-34-4- PubChem CID
- 95243
- DTXSID
DTXSID10991894- UNII
- ZS6ME39S45
- EC Number
- 230-457-3
- Nikkaji
- J227.395K
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 26
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 585
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Triethylhexyl Citrate) -> CIR (Cosmetic Ingredient Review)
Emollient; Plasticiser
Physicochemical properties
- Boiling point
- 252 · 252-254 °C(Press: 2 Torr)
- Density
- 0.9732 g/cm3 · 0.9732 g/cm3(Temp: 420 °C)
- pka
- 11.26 · 11.26±0.29(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGPLASTICISERSKIN CONDITIONING - EMOLLIENT
- LogP
- 9.97 · 9.970 (est)
- FDA UNII
- 6 ME39S45 · ZS6ME39S45
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 57.1% (4 of 7) of all reports.
Warning
H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(2-ethylhexyl) ester
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(2-ethylhexyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (42.9%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Triethylhexyl Citrate
Use ClassificationCosmetics -> Emollient; Plasticiser
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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