CAS 4986-89-4 Pentaerythritol tetraacrylate (HCID 62556)

Names & identifiers

Preferred name: Pentaerythritol tetraacrylate
IUPAC: [3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
English name: Pentaerythritol tetraacrylate
Molecular formula: C17H20O8
Molecular weight: 352.34

Names & synonyms

Pentaerythritol tetraacrylate4986-89-450LIA3DGN1DTXSID8042264pentaerythrityl tetraacrylateDTXCID6022264RefChem:859747225-644-1[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate2,2-Bis((acryloyloxy)methyl)propane-1,3-diyl diacrylateMFCD00015334Pentaerythritol Tetraacrylate (~80%)

Show more names

PET4APENTAERYTHRITOL TETRACRYLATETETRACROYLPENTAPENTATETRAACRYLATEPENTAERYTHRITOLTETRAAERYLATETetramethylolmethane tetracrylatePentaerythritol tetraacrylate Paste

Pentaerythritol Tetraacrylate (stabilized with MEHQ)F712282-Propenoic acid, 1,1'-(2,2-bis(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester2,2-Bis(((1-oxoallyl)oxy)methyl)-1,3-propanediyl diacrylateC17H20O8UNII-50LIA3DGN1TetramethEINECS 225-644-1

Database identifiers

CAS: 4986-89-4
PubChem CID: 62556
DTXSID: DTXSID8042264
ChEMBL: CHEMBL3188166
UNII: 50LIA3DGN1
EC Number: 225-644-1
Nikkaji: J60.756H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 25
Formal charge: 0
Complexity: 459

Experimental & physicochemical properties

Physical Description · 2 items

Liquid

Colorless viscous liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index2111；2111

Collision Cross Section172.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8042264]；178.8 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8042264]

Physicochemical properties

Melting point: 18 °C · 18°C
Boiling point: 450.3 · 450.3±40.0 °C(Predicted)
Density: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.487(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Amber Vial, Refrigerator, Under inert atmosphere
solubility: Chloroform, Methanol (Sparingly)
form: Solid
color: Colourless Waxy
Viscosity: 342 cp · 342 cp (38C)
Stability: Light Sensitive
Cosmetics Ingredients Functions: FILM FORMING
InChI: InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2
InChIKey: KNSXNCFKSZZHEA-UHFFFAOYSA-N
SMILES: C(OC(=O)C=C)C(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
CAS DataBase Reference: 4986 · 4986-89-4(CAS DataBase Reference)
EWG's Food Scores: 2 · 2
FDA UNII: 50 LIA3DGN1 · 50LIA3DGN1
EPA Substance Registry System: Pentaerythritol tetraacrylate (4986-89-4)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319
Precautionary statements: 261 · P261-P264-P272-P280-P302+P352-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/38-43
Safety Statements: 26 · 26-39-36/37
WGK Germany: 1 · 1
TSCA: TSCA listed
HS Code: 29161290 · 29161290
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

Hazard information

Regulatory Information · 3 items

Chemical: 2-Propenoic acid, 2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)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)

2-Propenoic acid, 2,2-bis(1-oxo-2-propenyl)oxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryContains 30-50% 2-(Hydroxymethyl)-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate (CAS# 3524-68-3); An irritant that may cause serious eye injury; May cause skin sensitization; [Sigma-Aldrich MSDS] See Pentaerythritol triacrylate.

Hazard Classes and Categories · 4 items

Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (> 99.9%)

Eye irritation - category 2；Skin irritation - category 2；Skin sensitisation - category 1

Skin sensitization - Category 1

Skin Irrit. 2；Eye Irrit. 2；Skin Sens. 1

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Regulatory information

Regulatory Information · 3 items

Chemical: 2-Propenoic acid, 2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)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)

2-Propenoic acid, 2,2-bis(1-oxo-2-propenyl)oxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
hs_code: 29161290
risk_code: 36/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39-36/37
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H317-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P261-P264-P272-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable；Monomers

Industry UsesPhotosensitive chemicals；Not Known or Reasonably Ascertainable；Other；Monomers

General Manufacturing Information · 2 items

Construction；Not Known or Reasonably Ascertainable；Adhesive Manufacturing；Paint and Coating Manufacturing；Plastics Material and Resin Manufacturing；Printing Ink Manufacturing；Wood Product Manufacturing；Miscellaneous Manufacturing；Printing and Related Support Activities；Rubber Product Manufacturing

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE

Applications · 3 items

UsesPENTAERYTHRITOL TETRAACRYLATE is a useful research chemical.

UsesPETA can be used in the synthesis of gel polymer electrolyte for the fabrication of lithium-sulfur batteries.

General DescriptionPentaerythritol tetraacrylate (PETA) is a hydrophobic tetrafunctional monomer that is majorly used as a crosslinking agent that facilitates an improvement in the surface morphology of the polymeric material. It can be synthesized by the suspension of pentaerythritol in the solution of triethylamine and dichloromethane.