3-Methylcinnamic acid
기본 정보
- CAS
14473-89-3- 표준 SMILES
Cc1cccc(/C=C/C(=O)O)c1- InChIKey
JZINNAKNHHQBOS-AATRIKPKSA-N- 분자식
- C10H10O2
- 평균 분자량
- 162.18 g/mol
- 단동위원소 질량
- 162.06807956
개요
3-methylcinnamic acid is a cinnamic acid having a methyl substituent at the 3-position on the phenyl ring.
이름 및 식별자
- 우선 이름
- 3-Methylcinnamic acid
- IUPAC
- (E)-3-(3-methylphenyl)prop-2-enoic acid
- 영어명
- 3-Methylcinnamic acid
- 분자식
- C10H10O2
- 분자량
- 162.19
이름 및 동의어
3-Methylcinnamic acid3029-79-6(E)-3-(m-Tolyl)acrylic acidm-Methylcinnamic acid3-m-Tolylacrylic acid(2E)-3-(3-methylphenyl)acrylic acid(2E)-3-(3-methylphenyl)prop-2-enoic acid3-Methyl-trans-cinnamic acidCinnamic acid, m-methyl-trans-m-Methylcinnamic acidEINECS 221-199-2377B8288XF
이름 더 보기
(E)-3-(m-tolyl)prop-2-enoic acidTIMTEC-BB SBB006620RARECHEM BK HC T3063-M-TOLYL-ACRYLIC ACID(E)-3-Methylcinnamic acid(E)-3-M-tolylacrylic acidtrans-3-Methylcinnamic acid3-(3-METHYLPHENYL)-2-PROPENOIC ACID3-METHYLCINNAMIC ACID, 97%, PREDOMINANTL3-Methylcinnamic acid,predominantly trans
CHEBI:61118RefChem:94863221-199-2621-966-5JZINNAKNHHQBOS-AATRIKPKSA-N14473-89-33-(m-Tolyl)acrylic acid2-Propenoic acid, 3-(3-methylphenyl)-
데이터베이스 식별자
- CAS
14473-89-3、3029-79-6- PubChem CID
- 2063448
- DTXSID
DTXSID001044346- ChEMBL
CHEMBL458113- ChEBI
CHEBI:61118- UNII
- 377B8288XF
- EC Number
- 221-199-2、621-966-5
- Nikkaji
- J135.444B、J205.336E
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 184
물리화학적 성질
- 녹는점
- 116 · 116-119 °C
- 끓는 점
- 298.341 · 298.341±9.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.148 · 1.148±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.461 · 4.461±0.10(predicted)
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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
안전 데이터
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
관련 반응
5건
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