기본 정보
- CAS
53174-06-4- 표준 SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2- InChIKey
GLEVLJDDWXEYCO-AWEZNQCLSA-N- 분자식
- C14H18O4
- 평균 분자량
- 250.29 g/mol
- 단동위원소 질량
- 250.12050905
이름 및 식별자
- 우선 이름
- 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (-)-
- IUPAC
- (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
- 현지명
- (S)-(-)-6-하이드록시-2,5,7,8-테트라메틸크로만-2-카복실산
- 영어명
- (S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
- 분자식
- C14H18O4
- 분자량
- 250.29
이름 및 동의어
(S)-Trolox(S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-(-)-TroloxUNII-O763YB84E3O763YB84E3(-)-6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, (-)-2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (2S)-2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (S)-RefChem:199089625-557-253174-06-4
이름 더 보기
(S)-(-)-6-하이드록시-2,5,7,8-테트라메틸크로만-2-카복실산Trolox (S)-IsomerTrolox Impurity 2 (Trolox (S)-Isomer)(S)-(-)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-C(S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid 98%(S)-(?)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-6-Hydroxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid(S)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid(2S)-2,5,7,8-Tetramethyl-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
(S)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidMFCD00180756(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid(2S)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acidAKOS026675667(2S)-6-Hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid(S)-()-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid(S)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylicacid
데이터베이스 식별자
- CAS
53174-06-4- PubChem CID
- 688071
- ChEMBL
CHEMBL1319514- UNII
- O763YB84E3
- EC Number
- 625-557-2
- Nikkaji
- J291.233C
물성
구조 계산 물성
- 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
- 160 °C · 160 °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
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨, 초음파 처리), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.35 · 3.35±0.20(Predicted)
- 색상
- 흰색에서 옅은 베이지까지
- 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-/m0/s1
- InChIKey
- GLEVLJDDWXEYCO-AWEZNQCLSA-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
- 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(S)-Trolox was used in studying antioxidant activities of viamin E analogs in water and a Kamlet-Taft β-value for water. It is also a reagent involved in synthesis of vitamin E.
공급사25 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
武汉市罗氏科技发展有限公司19171595131 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
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