기본 정보
- CAS
548-51-6- 표준 SMILES
Cc1ccc(C(C)C)c(O)c1C(=O)O- InChIKey
FNWNGQGTFICQJU-UHFFFAOYSA-N- 분자식
- C11H14O3
- 평균 분자량
- 194.23 g/mol
- 단동위원소 질량
- 194.0942943
개요
2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid is a monoterpenoid.
이름 및 식별자
- 우선 이름
- o-Thymotic acid
- IUPAC
- 2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid
- 현지명
- 2-히드록시-3-이소프로필-6-메틸벤조산
- 영어명
- 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
- 분자식
- C11H14O3
- 분자량
- 194.23
이름 및 동의어
2-Hydroxy-3-isopropyl-6-methylbenzoic acid548-51-6o-Thymotic acido-Thymotinic acido-Thymolcarboxylic acid2-Thymotic acidOrthothymotic acid2-Thymolcarboxylic acid3-Isopropyl-6-methylsalicylic acid6-Methyl-3-isopropylsalicylic acid3-Hydroxy-2-p-cymenecarboxylic acid3-Isopropyl-6 methyl salicylic acid
이름 더 보기
2-하이드록시-3-아이소프로필-6-메틸벤조산2-히드록시-3-이소프로필-6-메틸벤조산2-하이드록시-3-이소프로필-6-메틸벤조산Nsc76970thymotic acido-thymoticacidthymotinic acido-thymolcarboxylicacid2-thymolcarboxylicacid2-methyl-5-isopropylsalicyclicacid3-hydroxy-p-cymene-2-carboxylicaci
3-Hydroxy-p-cymene-2-carboxylic acidGF566F3K7L2-Methyl-5-isopropylsalicyclic acidEINECS 208-949-4Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)-NSC 68360BRN 25782822-Hydroxy-6-methyl-3-(1-methylethyl)benzoic acid
데이터베이스 식별자
- CAS
548-51-6- PubChem CID
- 11052
- DTXSID
DTXSID80203279- ChEMBL
CHEMBL1905986- ChEBI
CHEBI:93677- UNII
- GF566F3K7L
- EC Number
- 208-949-4
- Nikkaji
- J6.447E
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 213
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 127 · 127-129 °C (lit.)
- 끓는 점
- 290.67 °C · 290.67°C (rough estimate)
- 밀도
- 1.113 · 1.1130 (rough estimate)
- 굴절률
- 1.5087 · 1.5087 (estimate)
- 산도 계수 (pKa)
- 2.95 · 2.95±0.25(Predicted)
- 수용성
- 0.5 g/L · >0.5g/L(온도는 명시되지 않음)
- Merck
- 13 · 13,9485
- InChI
- 1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
- InChIKey
- FNWNGQGTFICQJU-UHFFFAOYSA-N
- SMILES
- CC(C)c1ccc(C)c(C(O)=O)c1O
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
- rtecs
- GZ6002990
- 독성
- mouse,LD50,intraperitoneal,160mg/kg (160mg/kg),Farmaco, Edizione Scientifica. Vol. 20, Pg. 506, 1965.
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Hydroxy-3-isopropyl-6-methylbenzoic acid is suitable for nuclear reactor applications.
일반 설명2-Hydroxy-3-isopropyl-6-methylbenzoic acid is also referred as o-thymotic acid. Analgesic and antistress evaluation of o-thymotic acid in rat has been reported.
공급사19 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [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]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海桤源科技有限公司13818304948
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
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