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스테아릴베타-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트

Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate

HCID 178805656
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
80693-11-4
표준 SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
SSDSCDGVMJFTEQ-UHFFFAOYSA-N
분자식
C35H62O3
평균 분자량
530.9 g/mol

이름 및 식별자

우선 이름
Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
IUPAC
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
현지명
스테아릴베타-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트
영어명
Stearyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
분자식
C35H62O3
분자량
0

이름 및 동의어

Irganox 1076stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionateIRGANOX-1076TINOGARD TSV88J661G2POctadecyl DI-tert-butyl-4-hydroxyhydrocinnamateSELOSOL F 773SONGNOX 10763,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl esterRefChem:7890082082-79-3Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
이름 더 보기
스테아릴베타-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트octadecyl 3-(4-hydroxy-3,5-ditert-butyl-phenyl)propanoateStearyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Antioxidant 1076octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateTominokusu SSNaugard 76Ralox 530Sumilizer BP 76Ultranox 276Irganox 1906

데이터베이스 식별자

CAS
80693-11-4
UNII
V88J661G2P
EC Number
218-216-0
Nikkaji
J21.231H

물성

구조 계산 물성

XLogP
13.8
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
23
무거운 원자 수
38
형식 전하
0
복잡도
561

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Other Aromatic Compounds

Antioxidant

Polymers · 2건

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS

FragrancesFragrance Ingredient (Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester) -> IFRA transparency List
Food Contact Substances · 6건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2건

Dry Powder; Liquid; Liquid; Large Crystals; Liquid; Wet Solid; CBI; Dry Powder; Other Solid

Irganox: White odorless solid; [HSDB] Solid; [IUCLID]

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 73.7% (1157 of 1569) of all reports.

Warning

H317 (19.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1569 reports by companies from 14 notifications to the ECHA C&L Inventory.

Warning

유해성 정보

Regulatory Information · 4건

Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl 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-, octadecyl 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: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15217

Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl 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-, octadecyl ester: Human health tier I assessment
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and Categories · 2건

Skin Sens. 1 (19.6%)

Reproductive toxicity - Category 2

안전 및 보호

화학 및 산업

용도 및 제조

Uses · 2건

Irganox: Trademark for a series of complex, high-molecular-weight stabilizers that inhibit oxidation and thermal degradation of many organic materials. They contain multifunctional chemical groupings. Several are hindered polyphenols. [HSDB] Used in process that results in inclusion into or onto matrix; in polymers industry; as stabilizer; as antioxidant; [IUCLID]

Plastics -> Typical concentration range in plastic materials -> 0.002 - 0.4%

U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 11 consumer products that contain Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester in the following categories is provided:
Use Classification · 3건

Fragrance Ingredients

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS

Plastics -> Antioxidants

General Manufacturing Information · 3건

Asphalt Paving, Roofing, and Coating Materials Manufacturing

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester: ACTIVE

TRADEMARK FOR A SERIES OF COMPLEX, HIGH-MOLECULAR-WEIGHT STABILIZERS THAT INHIBIT OXIDATION AND THERMAL DEGRADATION OF MANY ORGANIC MATERIALS. THEY CONTAIN MULTIFUNCTIONAL CHEMICAL GROUPINGS. SEVERAL ARE HINDERED POLYPHENOLS. /IRGANOX/

공급사1 곳

HONEST JOY HOLDINGS LIMITED[email protected]

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화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Exposure Control and Personal Protection
20.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]

독성 정보

Non-Human Toxicity Excerpts · 2건

MUTAGENICITY OF PHOTOREACTION PRODUCTS OF TITLE COMPD WAS DETERMINED IN SALMONELLA TYPHIMURIUM TA98 & TA100. AT MORE THAN 100 MUG/PLATE, NO MUTAGENICITY WAS OBSERVED. THE PHOTOREACTION PRODUCTS OF 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE & THE DIMERIC OXIDN PRODUCTS OF IRGANOX 1076 WERE CHARACTERIZED BY TLC OR NMR SPECTROMETRY.

ORAL ADMIN OF N-OCTADECYL BETA-(3',5'-DI-TERT-BUTYL-4'- HYDROXYPHENYL)PROPIONATE IN MALE & FEMALE RATS PRODUCED BOTH LIVER ENLARGEMENT & INDUCTION OF HEPATIC MICROSOMAL XENOBIOTIC METABOLISM, INCLUDING CYTOCHROME P-450, MIXED-FUNCTION OXIDASE ENZYMES & UDP-GLUCURONOSYLTRANSFERASE.

Toxicity DataLC50 (rat) > 1,811 mg/m3/4h