(R)-(+)-6-하이드록시-2,5,7,8-테트라메틸크로만-2-카복실산
6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (+)-
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기본 정보
- CAS
53101-49-8- 표준 SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)O)O2- InChIKey
GLEVLJDDWXEYCO-CQSZACIVSA-N- 분자식
- C14H18O4
- 평균 분자량
- 250.29 g/mol
- 단동위원소 질량
- 250.12050906
이름 및 식별자
- 우선 이름
- 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (+)-
- IUPAC
- (2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
- 현지명
- (R)-(+)-6-하이드록시-2,5,7,8-테트라메틸크로만-2-카복실산
- 영어명
- (R)-(+)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
- 분자식
- C14H18O4
- 분자량
- 250.29
이름 및 동의어
(R)-TROLOX(R)-(+)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidUNII-1O8B70QB9P1O8B70QB9P(+)-6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (+)-DTXSID302011892H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (2R)-2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (R)-RefChem:104705DTXCID80123680625-970-8
이름 더 보기
(R)-(+)-6-하이드록시-2,5,7,8-테트라메틸크로만-2-카복실산(R)-Trolox D5Trolox (R)-IsomerTrolox Impurity 1 (Trolox (R)-Isomer)(R)-(+)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-C(2R)-2,5,7,8-Tetramethyl-6-hydroxychroman-2-carboxylic acid(R)-(+)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid 98%(R)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
53101-49-8(R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidMFCD00180755(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid(r)-6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid(2R)-6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid(R)-(+)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
데이터베이스 식별자
- CAS
53101-49-8- PubChem CID
- 6541354
- DTXSID
DTXSID30201189- ChEMBL
CHEMBL577033- UNII
- 1O8B70QB9P
- EC Number
- 625-970-8
- Nikkaji
- J291.232E
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 343
물리화학적 성질
- 녹는점
- 162 °C · 162 °C (dec.) (lit.)
- 끓는 점
- 450.3 · 450.3±45.0 °C(Predicted)
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 250 mg/mL · DMSO: 250 mg/mL (998.84 mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 3.35 · 3.35±0.20(Predicted)
- 색상
- White to off-white
- 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)/t14-/m1/s1
- InChIKey
- GLEVLJDDWXEYCO-CQSZACIVSA-N
- SMILES
- Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 9999999999
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(R)-Trolox is used in synthesis of vitamin E analogs.
일반 설명(R)-(+)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, a vitamin E analog, is a mushroom tyrosinase inhibitor.
관련 반응
5건
화합물 노트
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