Pentaerythrityl Tetrastearate

HCID 61037

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Basic information

CAS: 115-83-3
Standard SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIKey: OCKWAZCWKSMKNC-UHFFFAOYSA-N
Molecular formula: C77H148O8
Average molar mass: 1,202 g/mol
Monoisotopic mass: 1,201.1174217

Names & identifiers

Preferred name: Pentaerythrityl Tetrastearate
IUPAC: [3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate
English name: Pentaerythrityl tetrastearate
Molecular formula: C77H148O8
Molecular weight: 1201.99

Names & synonyms

Pentaerythrityl tetrastearatePentaerythritol tetrastearateRADIASURF 7176ALKAMULS PETSDUB PTSLIPONATE PS-4W9Q3DZS0EGEINECS 204-110-1Octadecanoic acid, 2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl esterOctadecanoic acid, 1,1'-(2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl) esterOCTADECANOIC ACID, 2,2-BIS[[(1-OXOOCTADECYL)OXY]METHYL]-1,3-PROPANEDIYL ESTEROctadecanoic acid, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester

Show more names

PETSpentaerythritetetra-n-stearatetetrastearateTTol stearateGlycolube(R) PPE TETRASTEARATEGlycolube(R) P (ETS)PENTAERYTHRITYL STEARATEPantaerythrit tetrastearate

RefChem:859786PENTAERYTHRITYL TETRASTEARATE [INCI]Octadecanoic acid, 2,2-bis(1-oxooctadecyl)oxymethyl-1,3-propanediyl ester204-110-1115-83-3pentaerythritoltetrastearate[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoateStearic acid, neopentanetetrayl ester

Database identifiers

CAS: 115-83-3
PubChem CID: 61037
DTXSID: DTXSID7026944
UNII: W9Q3DZS0EG
EC Number: 204-110-1
Nikkaji: J106.243C

Properties

Computed structural properties

XLogP: 33.5
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 76
Heavy atoms: 85
Formal charge: 0
Complexity: 1,180

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Pentaerythrityl Tetrastearate) -> CIR (Cosmetic Ingredient Review)

Emollient; Viscosity controlling

Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLarge Crystals; Other Solid; Dry Powder

Physicochemical properties

Melting point: 60 · 60-66 °C
Boiling point: 261 ℃ · 261℃
Density: 0.94 · 0.94
Flash point: 247 ℃ · 247℃
storage temp.: 2 · Storage temp. 2-8°C
form: powder to crystal
color: White to Almost white
Cosmetics Ingredients Functions: VISCOSITY CONTROLLINGSKIN CONDITIONING - EMOLLIENT
InChIKey: OCKWAZCWKSMKNC-UHFFFAOYSA-N
SMILES: C(OC(=O)CCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
LogP: 33.079 · 33.079 (est)
CAS DataBase Reference: 115 · 115-83-3(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: PENTAERYTHRITOL TETRASTEARATE
FDA 21 CFR: 175.105 · 175.105; 176.170; 177.1200;177.1580; 177.1585
EWG's Food Scores: 1 · 1
FDA UNII: 9 Q3DZS0EG · W9Q3DZS0EG
EPA Substance Registry System: Pentaerythritol tetrastearate (115-83-3)
Symbol(GHS): 5 · GHS05,GHS02
Signal word: Danger
Hazard statements: 314 · H314-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 29157010 · 29157010
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (416 of 416) of all reports.

Not Classified

Aggregated GHS information provided per 416 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester

Octadecanoic acid, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Pentaerythritol tetrastearate (EC: 204-110-1)

Octadecanoic acid, 2,2-bis(1-oxooctadecyl)oxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

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

tsca: TSCA listed
hs_code: 29157010
Signal word: Danger
Symbol(GHS): GHS05,GHS02
safety_code: 24/25
Hazard statements: H314-H226
REACH Registrations: Active
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Pentaerythrityl Tetrastearate

U.S. Production2023: 7,000,000 - <8,500,000 lb

Consumer UsesSurfactant (surface active agent)

Industry UsesIntermediate

Household ProductsInformation on 1 consumer products that contain Pentaerythrityl tetrastearate in the following categories is provided:

Use ClassificationCosmetics -> Emollient; Viscosity controlling

Applications · 1 item

UsesGlycolube(R) P (Pentaerythrityl tetrastearate) is an effective lubricant for many polymer compounds in both extrusion and molding processes. It is recommended for use as a mold release agent in polycarbonate, thermoplastic polyesters and other engineering thermoplastics.