1,4-DIHYDRO-2-메틸벤조산

1,4-Dihydro-2-methylbenzoic acid

HCID 564581CAS 55886-48-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CCC=CC1C(=O)O
InChIKey: GYUSHSKDGRZQOB-UHFFFAOYSA-N
분자식: C8H10O2
평균 분자량: 138.16 g/mol
단동위원소 질량: 138.06807956

이름 및 식별자

우선 이름: 1,4-Dihydro-2-methylbenzoic acid
IUPAC: 2-methylcyclohexa-2,5-diene-1-carboxylic acid
현지명: 1,4-DIHYDRO-2-메틸벤조산
영어명: 1,4-DIHYDRO-2-METHYLBENZOIC ACID
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

1,4-Dihydro-2-methylbenzoic acid55886-48-1DTXSID60340419RefChem:73262DTXCID30291500622-940-6GYUSHSKDGRZQOB-UHFFFAOYSA-N2-methylcyclohexa-2,5-diene-1-carboxylic acid2-Methylcyclohexa-2,5-dienecarboxylic acidSCHEMBL5946332-methyl-l,4-dihydrobenzoic acid2-methyl-1,4-dihydrobenzoic acid

이름 더 보기

1,4-DIHYDRO-2-메틸벤조산Dihydro-2-Methylbenzoic1,4-Dihydro-o-toluic acid (COOH=1)1,4-Dihydro-2-methylbenzoic acid, GC 95%2-Methyl-2,5-cyclohexadiene-1-carboxylic acid2,5-Cyclohexadiene-1-carboxylic acid, 2-methyl-

AKOS0062212391,4-Dihydro-2-methylbenzoic acid, 95%2-Methylcyclohexa-2,5-dienecarboxylicacidDB-0528152-Methyl-2,5-cyclohexadiene-1-carboxylic acid #

데이터베이스 식별자

CAS: 55886-48-1
PubChem CID: 564581
DTXSID: DTXSID60340419
EC Number: 622-940-6
Nikkaji: J578.955I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 201

물리화학적 성질

녹는점: 73 · 73-75 °C (lit.)
끓는 점: 253.6 · 253.6±29.0 °C(Predicted)
밀도: 1.12 · 1.120±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.87 · 3.87±0.40(Predicted)
InChI: 1S/C8H10O2/c1-6-4-2-3-5-7(6)8(9)10/h3-5,7H,2H2,1H3,(H,9,10)
InChIKey: GYUSHSKDGRZQOB-UHFFFAOYSA-N
SMILES: CC1=CCC=CC1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

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

일반 설명Reaction between benzophenone and 1,4-dihydro-2-methylbenzoic acid was studied by combination of steady-state photolysis, laser flash photolysis and photochemically induced dynamic nuclear polarization.

공급사21 곳

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

Syntechem Co.,Ltd[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

연결된 노트

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