기본 정보
- CAS
3556-86-3- 표준 SMILES
COC(=O)c1ccc(C)c(O)c1- InChIKey
GCSINTLJUNXLLU-UHFFFAOYSA-N- 분자식
- C9H10O3
- 평균 분자량
- 166.17 g/mol
- 단동위원소 질량
- 166.06299418
이름 및 식별자
- 우선 이름
- Methyl 3-hydroxy-4-methylbenzoate
- IUPAC
- methyl 3-hydroxy-4-methylbenzoate
- 영어명
- Methyl 3-hydroxy-4-methylbenzoate
- 분자식
- C9H10O3
- 분자량
- 166.17
이름 및 동의어
methyl 3-hydroxy-4-methylbenzoate3556-86-3RefChem:815501841-076-2Methyl 4-Methyl-3-hydroxybenzoateMFCD002138083-Hydroxy-4-methyl-benzoic acid methyl esterMETHYL3-HYDROXY-4-METHYLBENZOATENSC604566BENZOIC ACID, 3-HYDROXY-4-METHYL-, METHYL ESTERMETHYL 3-HYDROXY-4-METHYLBENZATE3-hydroxy-4-methylbenzoic acid methyl ester
이름 더 보기
3-HYDROXY-P-TOLUIC ACID METHYL ESTERMethyl 3-hydroxy-4-methylbenzoate 98%
3-Hydroxy-4-methylbenzoic Acid Methyl Ester; Methyl 3-Hydroxy-4-methylbenzoate; NSC 604566SCHEMBL1979723,4-Cresotic acid methyl esterSCHEMBL30809635GCSINTLJUNXLLU-UHFFFAOYSA-NMethyl-3-hydroxy-4-methylbenzoateALBB-013963methyl 3-hydroxy-4-methyl-benzoate
데이터베이스 식별자
- CAS
3556-86-3- PubChem CID
- 354091
- EC Number
- 841-076-2
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 167
물리화학적 성질
- 녹는점
- 119 · 119.0-120.5 °C
- 끓는 점
- 294.6 · 294.6±20.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 저장 조건
- Hygroscopic, Refrigerator, under inert atmosphere
- 용해도
- 아세톤(약간 용해됨), 클로로포름(약간 용해됨)
- 산도 계수 (pKa)
- 9.5 · 9.50±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 갈색을 띤 노란색
- 안정성
- 흡습성
- InChI
- InChI=1S/C9H10O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5,10H,1-2H3
- InChIKey
- GCSINTLJUNXLLU-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(C)C(O)=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도Methyl 4-Methyl-3-hydroxybenzoate is used in the preparation of potent antimalarial agents. Also used in the preparation of aromatic inhibtors of anthranilate synthase.
공급사76 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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