Trolox (HCID 40634)｜Huagongshe

개요

Trolox is a chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capacity of complex mixtures. It has a role as a ferroptosis inhibitor, an antioxidant, a radical scavenger, a neuroprotective agent and a Wnt signalling inhibitor. It is a chromanol, a monocarboxylic acid and a member of phenols.

이름 및 식별자

우선 이름: Trolox
IUPAC: 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
영어명: Trolox
분자식: C14H18O4
분자량: 250.29

이름 및 동의어

trolox53188-07-16-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidTROLOX C3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acidS18UL9710X6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidCHEBI:82625DTXSID60866306(+--)-troloxRefChem:543360

이름 더 보기

(+/-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACIDtroloxcTROLOX(R)trolox tm238813-1GTROLOXTM CTrolox(R),97%Trolox, 97% 1GRTrolox, 97% 5GR

DTXCID60220823(+--)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+--)-258-422-86-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acidMFCD0000684656305-04-52H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-

데이터베이스 식별자

CAS: 53188-07-1、56305-04-5
PubChem CID: 40634
DTXSID: DTXSID60866306
ChEMBL: CHEMBL153
ChEBI: CHEBI:82625
UNII: S18UL9710X
EC Number: 258-422-8
Nikkaji: J236.392E

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 343

실험 및 물리화학적 성질

Chemical ClassesAntioxidant

LogP2.61

Collision Cross Section149.97 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 187 · 187-189 °C (lit.)
끓는 점: 313.42 °C · 313.42°C (rough estimate)
밀도: 1.0616 · 1.0616 (rough estimate)
굴절률: 1.497 · 1.4970 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(최대 25mg/ml) 또는 에탄올(최대 25mg/ml)에 용해됩니다. 또한 알칼리성 pH에서는 물에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): 3.35 · 3.35±0.20(Predicted)
색상: 흰색에서 희미한 베이지색
수용성: 0.5 mg/mL · water: 0.5mg/mL (slightly soluble)ethanol: 150mg/mLmethanol: soluble
BRN: 1384051 · 1384051
안정성: 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°에서 최대 1개월 동안 보관할 수 있습니다.
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
InChIKey: GLEVLJDDWXEYCO-UHFFFAOYSA-N
SMILES: C1(C)(C(O)=O)OC2=C(C)C(C)=C(O)C(C)=C2CC1
EPA: 3 · 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid (53188-07-1)

화학적 성질

white to fainly beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 90 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DJ2273000
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

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

Cellular LocationsMembrane

용도 및 제조

General Manufacturing Information2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-: ACTIVE

응용 분야

일반 설명(±)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid (Trolox) exhibits radical scavenging and antioxidant activities.

상·하류 제품 정보

상류 원료

2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, methyl ester 물 수산화나트륨 메틸알콜 황산 칼륨

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]

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]

추가 설명 · 1건

정의ChEBI: A chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capa ity of complex mixtures.