기본 정보
- CAS
16846-10-9- 표준 SMILES
COC(=O)c1c(O)cc(C)cc1O- InChIKey
RIJMQNGJNNAAQK-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
이름 및 식별자
- 우선 이름
- Methyl 2,6-dihydroxy-4-methylbenzoate
- IUPAC
- methyl 2,6-dihydroxy-4-methylbenzoate
- 현지명
- 메틸2,6-디히드록시-4-메틸벤조에이트
- 영어명
- METHYL 2,6-DIHYDROXY-4-METHYLBENZOATE
- 분자식
- C9H10O4
- 분자량
- 182.17
이름 및 동의어
Methyl 2,6-dihydroxy-4-methylbenzoate16846-10-9Methyl 2,6-dihydroxy-p-toluateDTXSID10168569RefChem:812978DTXCID5091060240-870-0Methyl 2,6-dihydroxy-4-methylbenzenecarboxylateBenzoic acid, 2,6-dihydroxy-4-methyl-, methyl esterMFCD00012063methyl 2,6-dihydroxy-4-methyl-benzoateEINECS 240-870-0
이름 더 보기
메틸2,6-디히드록시-4-메틸벤조에이트Methyl 2,6-dihydroxy-4-methylbenzoate 98%METHYL 2,6-DIHYDROXY-4-METHYLBENZOATE, 9 8%Resorcylic acid,gamma, 4-methyl-,methyl ester
methyl orcinol carboxylate2,6-Dihydroxy-4-methylbenzoic acid methyl esterCHEMBL469646SCHEMBL1636307p-Orsellinic acid, methyl esterNSC37990NSC 37990NSC-37990
데이터베이스 식별자
- CAS
16846-10-9- PubChem CID
- 85612
- DTXSID
DTXSID10168569- ChEMBL
CHEMBL469646- EC Number
- 240-870-0
- Nikkaji
- J150.064C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 180
물리화학적 성질
- 녹는점
- 96 · 96-98 °C (lit.)
- 용해도
- 25 mg/mL, · 클로로포름: 용해성25mg/mL, 투명, 무색
- InChI
- 1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3
- InChIKey
- RIJMQNGJNNAAQK-UHFFFAOYSA-N
- SMILES
- COC(=O)c1c(O)cc(C)cc1O
- LogP
- 2.75 · 2.750 (est)
안전 및 규제
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
Regulatory InformationChemical: Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2916399090
- 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
공급사16 곳
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [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]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
BOC Sciences[email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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