테트라키스-[메틸렌 3-(3`,5`-디-t-부틸-4`-하이드록시페닐)프로피오네이트]메탄
Antioxidant 1010
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기본 정보
- CAS
6683-19-8- 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)
물성
구조 계산 물성보충 중
- 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
Chemical ClassesOther Classes -> Other Organic Compounds
Polymers
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
SolubilitySolubility in water: none
Flash Point
297 °C o.c.
566.6 °F (open cup)
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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
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.
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%
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
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
관련 반응
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