테트라키스-[메틸렌 3-(3`,5`-디-t-부틸-4`-하이드록시페닐)프로피오네이트]메탄

Antioxidant 1010

HCID 64819CAS 6683-19-8

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

6683-19-8Irganox 1010Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)Antioxidant 1010Tetraalkofen BPEPhenosane 23Dovernox 10Fenozan 22Fenozan 23Naugard 10Sumilizer BP 101Irganox 1010FF
이름 더 보기
테트라키스(메틸렌(3,5-디-삼차뷰틸-4-하이드록시히드로시남산))메탄테트라키스-[메틸렌3-(3`,5`-디-t-부틸-4`-하이드록시페닐)프로피오네이트]메탄3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠-프로판산2,2-비스[[3-[3,5-비스(1,1-다이메틸에틸)-4-하이드록시페닐]-1-옥소-프로폭시]메틸]-1,3-프로판디일에스터펜타에리스리틸테트라-다이-t-부틸하이드록시하이드로신나메이트테트라키스(메틸렌(3,5-디-삼차뷰틸-4-하이드록시히드로시남산))메탄3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠-프로판 산 2,2-비스[[3-[3,5-비스(1,1- 다이메틸에틸)-4-하이드록시페닐]-1-옥소- 프로폭시]메틸]-1,3-프로판디일 에스터테트라키스(에틸렌(3,5-다이-삼차뷰틸-4-하이드록시하이드로시남산))메탄PENTAERYTHRITYL TETRA-DI-t-BUTYL HYDROXYHYDROCINNAMATEPentaerythritol TetrakisBHPMao60Antioxidant1010PENTAERYTHRITOL TETRAKIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)TTHP
Irganox 1040Anox 20AMRalox 630ANOX 20ADK Stab AO 60Irganox 1010FPMARK AO 60DTXSID1027633

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
Polymers · 2건

Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS

Plastics -> Antioxidants

CosmeticsCosmetic ingredients (Pentaerythrityl Tetra-di-t-butyl Hydroxyhydrocinnamate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (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) -> IFRA transparency List
LogP23
Density1.15 g/cm³

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)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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

Other Safety InformationIMAP assessments - 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: Human health tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards Summary · 1건

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]

EPA Safer ChemicalChemical: Pentaerythritol, tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
Chemical DangersReacts with strong oxidants, strong acids and strong bases.

안전 및 보호

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4건

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.

Safe StorageSeparated from strong oxidants, strong bases and strong acids.
Spillage DisposalRemove all ignition sources. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Prevent deposition of dust. Closed system, dust explosion-proof electrical equipment and lighting.

독성 정보

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
Signs and Symptoms · 2건

Cough.

Redness.

Toxicity DataLC50 (rat) > 1,950 mg/m3/4hr

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

화학 및 산업

용도 및 제조

Uses · 4건

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%

U.S. Production2023: 40,000,000 - <55,000,000 lb
Consumer UsesAnti-static agent
Industry UsesOxidizing agent
Household ProductsInformation on 33 consumer products that contain Pentaerythrityl Tetra-Di-T-Butyl Hydroxyhydrocinnamate in the following categories is provided:
Use Classification · 5건

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

응용 분야 · 2건

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).

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海创欣化学有限公司021-54253545

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