메틸하이드록시신나메이트

Methyl-P-Coumarate

HCID 5319562

기본 정보

CAS: 19367-38-5
표준 SMILES: COC(=O)/C=C/c1ccc(O)cc1
InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요

4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as an antifungal agent, a melanin synthesis inhibitor, an anti-inflammatory agent, a plant metabolite and a fungal metabolite. It is a methyl ester, a member of phenols and a cinnamate ester. It is functionally related to a 4-coumaric acid.

이름 및 식별자

우선 이름: Methyl-P-Coumarate
IUPAC: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
현지명: 메틸하이드록시신나메이트
영어명: (E)-Methyl 4-coumarate
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

Methyl-p-coumaratemethyl-hydroxycinnamateRefChem:522166Methyl 4-hydroxycinnamate19367-38-5Methyl p-hydroxycinnamate(E)-Methyl 4-coumarateMethyl trans-p-Coumarate4-Hydroxycinnamic acid methyl ester(E)-Methyl 3-(4-hydroxyphenyl)acrylatemethyl coumaratemethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

이름 더 보기

메틸하이드록시신나메이트(E)-4-HydroxycinnaMic Acid Methyl Estertrans-4-Hydroxycinnamic Acid Methyl EsterOMpCAMETHYL 4-COUMARATETIMTEC-BB SBB002393Methyl trans-p-Coumarat

MFCD00157167p-hydroxy methyl cinnamatepCAMEMethyl (E)-3-(4-hydroxyphenyl)acrylatemethyl 4-hydroxy cinnamatemethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoateCHEMBL1468162-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, (2E)-

데이터베이스 식별자

CAS: 19367-38-5、3943-97-3
PubChem CID: 5319562
DTXSID: DTXSID401377985
ChEMBL: CHEMBL146816
ChEBI: CHEBI:86904
EC Number: 802-167-2
Nikkaji: J45.653E、J717.835B

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: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 138 · 138-140°C
끓는 점: 306.6 · 306.6±17.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.82 · 8.82±0.13(Predicted)
색상: 미색부터 베이지까지
화장품 원료 기능: 점도 조절피부 컨디셔닝 - 보습제피부 컨디셔닝
InChI: 1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N
SMILES: O=C(OC)/C=C/C1=CC=C(O)C=C1

화학적 성질

Off-White to Pale Orange Solid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: WGK 3
HS 번호: 2916.39.7900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 4-hydroxycinnamate is an antifungal agent,it is used in structure-antifungal activity relationship study against Aspergillus flavus, Aspergillus terreus, and Aspergillus niger.

공급사100 곳

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

成都彼样生物科技有限公司18108052721 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

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

上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

화합물 노트

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기본 정보

CAS: 19367-38-5
표준 SMILES: COC(=O)/C=C/c1ccc(O)cc1
InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요