Pentaerythritol tetraacetate

HCID 69007

Notes Reactions

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Basic information

CAS: 597-71-7
Standard SMILES: CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O
InChIKey: OUHCZCFQVONTOC-UHFFFAOYSA-N
Molecular formula: C13H20O8
Average molar mass: 304.29 g/mol
Monoisotopic mass: 304.11581759

Names & identifiers

Preferred name: Pentaerythritol tetraacetate
IUPAC: [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate
English name: Pentaerythritol tetraacetate
Molecular formula: C13H20O8
Molecular weight: 304.29

Names & synonyms

Pentaerythritol tetraacetate597-71-7NormosterolNormo-levelPentaerythrityl TetraacetateTetraacetyl pentestriolTetraacetil pentoetriolNSC 1841Pentaerythritol, tetraacetateT.A.P.E.Tetraacetil pentoetriol [Romanian]EINECS 209-907-8

Show more names

PAGPAGAPAGBMSP23T. A. P. E.tetraacetilpentoetriol

BRN 1804615C4YXI01Z81NSC-1841TetraOacetylpentaerythritol4-02-00-00264 (Beilstein Handbook Reference)1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, diacetateDTXSID108717831,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate

Database identifiers

CAS: 597-71-7
PubChem CID: 69007
DTXSID: DTXSID10871783
UNII: C4YXI01Z81
EC Number: 209-907-8
Nikkaji: J6.788A

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 21
Formal charge: 0
Complexity: 323

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Esters, Other

SpringerMaterials PropertiesCrystal structure

Physical DescriptionSolid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 78 · 78-83 °C
Boiling point: 325 °C · 325 °C
Density: 1.273 · 1.2730
refractive index: 1.58 · 1.5800 (estimate)
form: powder to crystal
color: White to Almost white
Cosmetics Ingredients Functions: SKIN CONDITIONING - EMOLLIENT
CAS DataBase Reference: 597 · 597-71-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 YXI01Z81 · C4YXI01Z81
NIST Chemistry Reference: Pentaerythritole tetraacetate(597-71-7)
EPA Substance Registry System: 1 · 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate (597-71-7)
Hazard Codes: F,C
Risk Statements: 11 · 11-34
Safety Statements: 24 · 24/25-45-36/37/39-26-16
RTECS: 2600000 · RZ2600000
TSCA: TSCA listed
HS Code: 29153900 · 29153900
Toxicity: 50 oral · LD50 oral in mouse: 3500mg/kg

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

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS] See Pentaerythritol.

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
rtecs: RZ2600000
hs_code: 29153900
Toxicity: LD50 oral in mouse: 3500mg/kg
risk_code: 11-34
hazard_code: F,C
safety_code: 24/25-45-36/37/39-26-16

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used in synthetic resins, paints, and varnishes; [Merck Index]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

General Manufacturing Information1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate: ACTIVE

Suppliers61 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records

New reaction record

HRID 2380391As reactantuspto-grants-1994_11

Compound notes

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