4-Methyl-m-anisic acid

HCID 81579CAS 7151-68-0

기본 정보

표준 SMILES: COc1cc(C(=O)O)ccc1C
InChIKey: CEAVPXDEPGAVDA-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: 4-Methyl-m-anisic acid
IUPAC: 3-methoxy-4-methylbenzoic acid
영어명: 3-Methoxy-4-methylbenzoic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

3-Methoxy-4-methylbenzoic acid4-Methyl-m-anisic acidBenzoic acid, 3-methoxy-4-methyl-DTXSID90221742EINECS 230-486-1NSC 70224RefChem:525418DTXCID20144233230-486-1InChI=1/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,117151-68-03-Methoxy-p-toluic acid

이름 더 보기

3-Methoxy-4-methylbenzoicCOOH=13M4MBA3-Methoxy-4-methyLGuaiacol Impurity 233-METHOXY-4-TOLUIC ACID4-Methyl-3-methoxybenzoic acid

MFCD00002566SCHEMBL503429NSC-70224DS-1516SY005692M14263-Methoxy-4-methylbenzoicacid3-Methoxy-4-Methyl-Benzoic Acid

데이터베이스 식별자

CAS: 7151-68-0
PubChem CID: 81579
DTXSID: DTXSID90221742
UNII: 9738Q3T8EZ
EC Number: 230-486-1
Nikkaji: J125.880J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 46.5 Å²
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: 152 · 152-154 °C (lit.)
끓는 점: 168 · 168-170 °C(Press: 11 Torr)
밀도: 1.168 · 1.168±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.25 · 4.25±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 1938389 · 1938389
InChI: InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey: CEAVPXDEPGAVDA-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C)C(OC)=C1
NIST: 3 · Benzoic acid, 3-methoxy-4-methyl-(7151-68-0)

화학적 성질

slightly yellow fine powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

wgk: 3
HS 번호: 29189900
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Methoxy-4-methylbenzoic Acid is used in the preparation of acyl pentapetide lactone in actinomycin-prodcing streptoycetes.

상·하류 제품 정보

상류 원료

하류 제품

3-METHOXY-4-메틸렌잘데하이드 METHYL 3-METHOXY-4-METHYLBENZOATE 4-formyl-3-methoxybenzonitrile 2-브로모-5-메톡시-4-메틸벤조산

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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