Methyl di-t-butyl hydroxyhydrocinnamate (HCID 62603)

개요

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester is an alkylbenzene.

이름 및 식별자

우선 이름: Methyl di-t-butyl hydroxyhydrocinnamate
IUPAC: methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
현지명: 3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠프로판산 메틸 에스터
영어명: Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
분자식: C18H28O3
분자량: 292.41

이름 및 동의어

6386-38-5Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionateBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl estermethyl di-t-butyl hydroxyhydrocinnamateMethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate35RWF1ITXJRALOX 35EINECS 228-985-4PHENOSAN METHYL ESTERFENOZAN 1Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl esterEC 228-985-4

이름 더 보기

3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠프로판산메틸에스터3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠프로판산메틸에스터메틸다이-t-부틸하이드록시하이드로신나메이트3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠프로판온산메티록스메틸3-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트Metilox3,5-Methyl Ester3-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-PROPIONIC ACID METHYL ESTERralox35Methyl 3-(3Methyl 3-(3,5-di-terPropofol Impurity 35Propofol Related Compound 33,5-di-tert-butyl-4-hydroxyphenyl

methyl 3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionateMETHYL .BETA.-3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONATEMETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMATEmethyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid methyl esterMETHYL .BETA.-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)PROPANOATEMETHYL .BETA.-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)PROPIONATEMETHYL 3,5-DI-TERT-BUTYL-4-HYDROXY-.BETA.-PHENYLPROPIONATE

데이터베이스 식별자

CAS: 6386-38-5
PubChem CID: 62603
DTXSID: DTXSID7027623
ChEBI: CHEBI:183289
UNII: 35RWF1ITXJ
EC Number: 228-985-4
Nikkaji: J62.859J

물성

구조 계산 물성

XLogP: 5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 324

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) -> IFRA transparency List

Physical DescriptionOther Solid; Dry Powder; Liquid

Collision Cross Section176.2 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7027623]

물리화학적 성질

녹는점: 60 · 60-67°C
끓는 점: 125 · 125-130 °C(Press: 0.1 Torr)
밀도: 1.006 · 1.006±0.06 g/cm3(Predicted)
굴절률: 1.5034 · 1.5034
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 12.17 · 12.17±0.40(Predicted)
색상: 흰색에서 거의 흰색
수용성: 2.2 mg/L · 2.2mg/L at 20℃
화장품 원료 기능: 향수항산화제
InChI: InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKey: PXMJCECEFTYEKE-UHFFFAOYSA-N
SMILES: C1(CCC(OC)=O)=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
LogP: 4.866 · 4.866 (est)
EPA: 3 · Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate (6386-38-5)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (15.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 344 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

유해성 정보

Regulatory Information · 4건

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

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl 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-, methyl 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: 15-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5593

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl 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.

Hazard Classes and Categories · 2건

Acute Tox. 4 (15.7%)

Reproductive toxicity - Category 2

안전 데이터

tsca: TSCA listed
HS 번호: 2918290090
risk_code: 36/37/38
safety_code: 26-36/37/39
위험 등급: IRRITANT
기존화학 물질: KE-03069

화학 및 산업

용도 및 제조

U.S. Production2023: 10,000,000 - <50,000,000 lb

Consumer UsesAntioxidant

Industry UsesAntioxidant

Household ProductsInformation on 9 consumer products that contain Methyl Di-T-Butyl Hydroxyhydrocinnamate in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2건

Not Known or Reasonably Ascertainable

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

상·하류 제품 정보

상류 원료

하류 제품

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester 티오디에틸렌 비스(3,5-디-삼차뷰틸-4-하이드록시히드로시남산)2,6-디-t-b부틸페놀 N,N'-1,6-헥산디일비스(3,5-비스(1,1-디메틸에틸)-4- 히드록시벤젠-프로판아미드 스테아릴-β-(3,5-디-t-부틸-4-하이드록시페닐)프로피오네이트 테트라키스-[메틸렌 3-(3`,5`-디-t-부틸-4`-하이드록시페닐)프로피오네이트]메탄

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

연결된 노트

불러오는 중…

3,5-비스(1,1-다이메틸에틸)-4-하이드록시벤젠프로판산 메틸 에스터

기본 정보

개요