2,5-Di-tert-butylhydroquinone (HCID 2374)

개요

2,5-di-tert-butylbenzene-1,4-diol is a member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.

이름 및 식별자

우선 이름: 2,5-Di-tert-butylhydroquinone
IUPAC: 2,5-ditert-butylbenzene-1,4-diol
현지명: 2,5-디-t-부틸하이드로퀴논
영어명: 2,5-Di-tert-butylhydroquinone
분자식: C14H22O2
분자량: 222.32

이름 및 동의어

2,5-Di-tert-butylhydroquinone88-58-42,5-Di-tert-butylbenzene-1,4-diolDTBHQDibugDi-t-butylhydroquinoneDybugSantovar O2,5-Di-tert-butylquinolNonflex AlbaNaugard 451Antage DBH

이름 더 보기

2,5-디-t-부틸하이드로퀴논다이-t-부틸하이드로퀴논2,5-디-tert-부틸히드로퀴논BHQDBHQBlack Hole QuencherProbesANTIOXIDANT DTBHQDibutylhydroquinone2,5-ditertiary butyl hydroquinone2-carbamoyl-2-propylpentanoic acid

Nocrac NS 71,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-2,5-Di-tert-butyl-1,4-benzenediol2,5-Di-tert-butyl-1,4-hydroquinonedi-tert-butylhydroquinone1,4-Dihydroxy-2,5-di-tert-butylbenzene2,5-Di-tert-butyl-1,4-benzohydroquinoneDTXSID8041248

데이터베이스 식별자

CAS: 1322-72-1、88-58-4
PubChem CID: 2374
DTXSID: DTXSID8041248
ChEMBL: CHEMBL480626
ChEBI: CHEBI:41094
UNII: 26XK13B61B
EC Number: 201-841-8
Nikkaji: J3.545I

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 208

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

DrugsPharmaceuticals -> Listed in ZINC15

Cosmetics · 2건

Cosmetic ingredients (Di-t-Butylhydroquinone) -> CIR (Cosmetic Ingredient Review)

Antioxidant

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

Physical Description · 2건

CBI

Off-white crystalline powder; [Alfa Aesar MSDS]

Collision Cross Section155.1 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8041248]

물리화학적 성질

녹는점: 216 · 216-218 °C(lit.)
끓는 점: 321 °C · 321°C
밀도: 1 · 1,07 g/cm3
굴절률: 1.4576 · 1.4576 (estimate)
인화점: 216 °C · 216 °C
저장 조건: 30 °C · Store below +30°C.
용해도: almost transparency in Methanol
산도 계수 (pKa): 11.89 · 11.89±0.23(Predicted)
물리적 상태: 결정성 분말
색상: 라이트베이지~핑크베이지
수용성: 3.8 mg/L · 3.8mg/L at 20℃
BRN: 2049542 · 2049542
안정성: 안정적인. 산화제와 호환되지 않습니다.
화장품 원료 기능: 항산화제
InChI: 1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey: JZODKRWQWUWGCD-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
LogP: 274 at · 274 at 30℃
NIST: 1 · 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-(88-58-4)
EPA: 1 · 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)- (88-58-4)

화학적 성질

cream or pale brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.7% (2 of 279) of reports.

Danger

H301 (46.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 279 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-

1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)- 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: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24124

2,5-Di-tert-butylhydroquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes lung and liver changes in 2-day intermittent oral studies of mice; Causes changes in clotting factors in 3-week constant oral studies rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See t-Butylhydroquinone. See 2,5-Di-t-pentylhydroquinone.

Hazard Classes and CategoriesAcute Tox. 3 (46.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

3.0 [mg/m3]

32 [mg/m3]

190 [mg/m3]

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Toxicity Summary · 2건

The Expert Panel concludes that the available data are insufficient to support the safety of Di-t-Butylhydroquinone for use in cosmetic products.

The available data are insufficient to support safety, but the ingredient is not used

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MX5160000
HS 번호: 29072900
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-24/25
기존화학 물질: KE-03059
위험 참고 사항: Irritant
자연 발화 온도: 790 °F
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

용도 및 제조

Uses · 2건

CIR ingredient: Di-t-Butylhydroquinone

Ca2+-ATPase antagonist. [ChemIDplus]

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

Use ClassificationCosmetics -> Antioxidant

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-: ACTIVE

응용 분야 · 3건

개요2,5-Di-tert-butylhydroquinone, also known as 2,5-TBHQ or DTBHQ, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. It is a phenol derivative containing 2 phenol groups and 2 alkyl groups, each consisting of three methyl groups.

용도2,5-Di-tert-butylhydroquinone is the oxidation substrate used to measure the catalytic activity of the copper(II) enzyme-like catalysts.

일반 설명Mobilizes Ca2+ specifically from the Ins(1,4,5)P3-sensitive Ca2+ stores by inhibiting microsomal and sarcoplasmic reticulum Ca2+-ATPase activity. Does not affect mitochondrial Ca2+ fluxes or plasma membrane Ca2+/Mg2+ ATPase activity. Useful for the study of endomembrane Ca2+ stores and plasma membrane Ca2+ permeability pathways.

상·하류 제품 정보

상류 원료

이소부텐 하이드로퀴논 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(2-propen-1-yl)-tert-부틸알코올 수소 2,5-디-tert-부틸-1,4-벤조퀴논 톨루엔 Allyltributyltin

하류 제품

2-t-부틸하이드로퀴논 6-브로모인돌-2-카르복실산 (6-BROMO-1H-INDOL-2-YL)메탄올 6-브로모-1H-인돌-2-카발데하이드 에틸6-브로모인돌-2-카르복실레이트 2,6-디-tert-부틸히드로퀴논 페닐-t-부틸에테르 1,4-Di-t-butyl-2,5-bis(2-methoxyethoxy)benzene, 99+% Redox shuttle ANL-RS2

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]

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.

연결된 노트

불러오는 중…

2,5-디-t-부틸하이드로퀴논

기본 정보

개요