기본 정보
- 표준 SMILES
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
BGYHLZZASRKEJE-UHFFFAOYSA-N- 분자식
- C73H108O12
- 평균 분자량
- 1,177.6 g/mol
- 단동위원소 질량
- 1,176.7840789
개요
has antioxidant activity
이름 및 식별자
- 우선 이름
- Antioxidant 1010
- IUPAC
- [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- 현지명
- 테트라키스-[메틸렌 3-(3`,5`-디-t-부틸-4`-하이드록시페닐)프로피오네이트]메탄
- 영어명
- Antioxidant 1010
- 분자식
- C73H108O12
- 분자량
- 1177.66
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6683-19-8- PubChem CID
- 64819
- DTXSID
DTXSID1027633- ChEMBL
CHEMBL3187856- UNII
- 255PIF62MS
- EC Number
- 229-722-6、687-966-2
- Nikkaji
- J46.615H
물성
구조 계산 물성
- XLogP
- 19.4
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 1,730
실험 및 물리화학적 성질
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Antioxidants
Flash Point
297 °C o.c.
566.6 °F (open cup)
Melting Point
110-125 °C
230-257 °F
물리화학적 성질
- 녹는점
- 115 · 115-118 °C (dec.)(lit.)
- 끓는 점
- 779.1 °C · 779.1°C (rough estimate)
- 밀도
- 0.9594 · 0.9594 (rough estimate)
- 굴절률
- 1.639 · 1.6390 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 11.71 · 11.71±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 항산화제
- InChIKey
- BGYHLZZASRKEJE-UHFFFAOYSA-N
- LogP
- 18.832 · 18.832 (est)
- EPA
- 3 · Pentaerithritol tetrakis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (6683-19-8)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 91.6% (2698 of 2945) of all reports.
Not Classified
Aggregated GHS information provided per 2945 reports by companies from 12 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]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)
Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15308
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause mechanical eye and respiratory tract irritation; [ICSC] Not a skin or eye irritant in rabbits; Not a skin sensitizer in guinea pigs; No adverse effects to fertility, reproduction, or development observed in 2-generation oral study of rats (doses up to 10,000ppm in feed); No teratogenic effects observed in mice (doses up to 1,000 mg/kg/day); [IUCLID] May cause mechanical irritation; [Addivant MSDS]
Hazard Classes and Categories
Not Classified
Acute Tox. 4 (100%)
안전 및 보호
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth.
독성 정보
Signs and Symptoms
Cough.
Redness.
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- rtecs
- DA8340900
- 독성
- LD50 unreported in mammal (species unspecified): 10gm/kg
- HS 번호
- 29182900
- safety_code
- 22-24/25
- 기존화학 물질
- KE-03066
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Pentaerythrityl Tetra-di-t-butyl Hydroxyhydrocinnamate
Used in the polymers industry as a stabilizer and antioxidant; [IUCLID] Used as a stabilizer for various polymers, as a radical scavenger in polyolefins, to make construction foam, Raffia film (PP film) and fibers, adhesives and sealants, thermoplastics, plastic and rubber products, wire and cable, wood plastic composites, and textiles-leather-fur; [ExPub: ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an antioxidant; [Addivant MSDS]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
Plastics -> Typical concentration range in plastic materials -> 0.002 - 0.5%
Use Classification
EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Antioxidants
General Manufacturing Information
Transportation Equipment Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester: ACTIVE
응용 분야
용도Pentaerythritol Tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) is an antioxidant used in food packaging to prevent the spoilage and increase the shelf life of food products. It can be found mainly in food packages made of LDPE, HDPE, PP, PVC and PET.
일반 설명Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) (PT) is a sterically hindered phenolic antioxidant and a heat stabilizer mainly used to enhance the oxidative resistance and protection against the toxicity of solvents. It has a glass transition temperature of 50℃ and can be annealed at room temperature.PT can be used as an additive to protect biaxially-oriented propylene (BOPP) capacitor film from thermal oxidation on UV exposure. It can also be used as a standard material to study the gas-cluster ion sputtering (GCIS) using X-ray photoelectron microscopy (XPS) and Atomic force microscopy (AFM).
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
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