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Trioleyl Phosphate

HCID 6436723
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3305-68-8
Standard SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC
InChIKey
SVETUDAIEHYIKZ-IUPFWZBJSA-N
Molecular formula
C54H105O4P
Average molar mass
849.4 g/mol
Monoisotopic mass
848.77504882

Overview

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Trioleyl Phosphate...

Names & identifiers

Preferred name
Trioleyl Phosphate
IUPAC
tris[(Z)-octadec-9-enyl] phosphate
English name
trioleyl phosphate
Molecular formula
C54H105O4P
Molecular weight
849.38

Names & synonyms

Trioleyl phosphate3305-68-8Hostaphat KO 300UNII-04N84W7M6Y04N84W7M6YNIKKOL TOP-0EINECS 221-983-49-Octadecen-1-ol, phosphate (3:1), (Z,Z,Z)-9-OCTADECEN-1-OL, PHOSPHATE (3:1), (9Z,9'Z,9''Z)-9-OCTADECEN-1-OL, 1,1',1''-PHOSPHATE, (9Z,9'Z,9''Z)-RefChem:191863TRIOLEYL PHOSPHATE [INCI]
Show more names
Tri-(9Z)-9-octadecen-1-yl phosphatePhosphoric acid tris[(Z)-9-octadecenyl] esterPhosphoric acid tris[(Z)-9-octadecen-1-yl] ester
DTXCID101477297221-983-4DTXSID001019329tris[(Z)-octadec-9-enyl] phosphateSCHEMBL304774SVETUDAIEHYIKZ-IUPFWZBJSA-NNS00014186Q27247658

Database identifiers

CAS
3305-68-8
PubChem CID
6436723
UNII
04N84W7M6Y
EC Number
221-983-4
Nikkaji
J262.405B

Properties

Computed structural properties

XLogP
23.2
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
51
Heavy atoms
59
Formal charge
0
Complexity
800

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Trioleyl Phosphate) -> CIR (Cosmetic Ingredient Review)

Plasticiser; Emollient; Skin conditioning

Physicochemical properties

Boiling point
805.2 · 805.2±64.0 °C(Predicted)
Density
0.899 · 0.899±0.06 g/cm3(Predicted)
Cosmetics Ingredients Functions
SKIN CONDITIONING - EMOLLIENTPLASTICISERSKIN CONDITIONING
LogP
25.027 · 25.027 (est)
CAS DataBase Reference
3305 · 3305-68-8
EWG's Food Scores
1 · 1
FDA UNII
4 N84W7M6Y · 04N84W7M6Y

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 ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Toxicology

Toxicity Summary · 2 items

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Trioleyl Phosphate...

Safe for use in cosmetics, with qualifications

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Trioleyl Phosphate
Use ClassificationCosmetics -> Plasticiser; Emollient; Skin conditioning

Suppliers4 total

北京华美互利生物化工010-56205725 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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