Pentaerythritol tetraacrylate (HCID 62556)

이름 및 식별자

우선 이름: Pentaerythritol tetraacrylate
IUPAC: [3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
현지명: 펜타시약 테트라크릴산염
영어명: Pentaerythritol tetraacrylate
분자식: C17H20O8
분자량: 352.34

이름 및 동의어

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%)

이름 더 보기

펜타시약테트라크릴산염펜타시약테트라크릴산염(PENTAERYTHRITOLTETRACRYLATE)펜타에리트리톨테트라아크릴레이트PET4APENTAERYTHRITOL 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 105 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 16
무거운 원자 수: 25
형식 전하: 0
복잡도: 459

실험 및 물리화학적 성질

Physical Description · 2건

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]

물리화학적 성질

녹는점: 18 °C · 18°C
끓는 점: 450.3 · 450.3±40.0 °C(Predicted)
밀도: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.487(lit.)
인화점: 230 °F · >230 °F
저장 조건: Amber Vial, Refrigerator, Under inert atmosphere
용해도: 클로로포름, 메탄올(소량)에 용해됨
물리적 상태: 고체
색상: 무색 왁스
안정성: 감광성
화장품 원료 기능: 필름 형성제
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
EPA: Pentaerythritol tetraacrylate (4986-89-4)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 3건

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 · 4건

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

독성 정보

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

규제 정보

Regulatory Information · 3건

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.

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29161290
risk_code: 36/38-43
hazard_code: Xi
safety_code: 26-39-36/37
기존화학 물질: KE-29445
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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 · 2건

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

응용 분야 · 2건

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

일반 설명Pentaerythritol 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.