4-Coumaric acid

HCID 322CAS 7400-08-0

기본 정보

표준 SMILES: O=C(O)C=Cc1ccc(O)cc1
InChIKey: NGSWKAQJJWESNS-UHFFFAOYSA-N
분자식: C9H8O3
평균 분자량: 164.16 g/mol
단동위원소 질량: 164.04734411

이름 및 식별자

우선 이름: 4-Coumaric acid
IUPAC: 3-(4-hydroxyphenyl)prop-2-enoic acid
영어명: 4-Hydroxycinnamic acid
분자식: C9H8O3
분자량: 164.16

이름 및 동의어

DTXSID6064660CHEBI:360903-(4-hydroxyphenyl)prop-2-enoic acidRefChem:1070546DTXCID10476054-Coumaric acidp-Hydroxycinnamic acidp-Hydroxy-cinnamic acid4-trans-4-Hydroxycinnamic acidparahydroxycinnamic acidp-hydroxy cinnamic acidAlkaline ceramidase

이름 더 보기

4-Hydroxycinnamic acidTRANS-P-COUMARIC ACIDTRANS-4-COUMARIC ACIDP-CUMARIC ACIDPHCA3-(4-HYDROXYPHENYL)ACRYLIC ACID3-(4-Hydroxyphenyl)-2-propenoic acidpara-Coumaric acidTRANS-P-CUMARIC ACID

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-4hydroxycinnamic acid4- hydroxycinnamic acid4-hy droxycinnamic acid4-hydroxy-cinnamic acidEnamine_005378p-Coumaric acid (NIST)Epitope ID:116879

데이터베이스 식별자

CAS: 7400-08-0
PubChem CID: 322
DTXSID: DTXSID6064660
EC Number: 231-000-0

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 214 °C · 214 °C (dec.)(lit.)
끓는 점: 251.61 °C · 251.61°C (rough estimate)
밀도: 1.2132 · 1.2132 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 4.65 · 4.65±0.10(Predicted)
색상: 흰색에서 황백색까지
생물학적 소스: rabbit
안정성: 감광성
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
InChIKey: NGSWKAQJJWESNS-UHFFFAOYSA-N
SMILES: C(O)(=O)C=CC1=CC=C(O)C=C1
LogP: 1.79 · 1.790
NIST: 2 · 2-Propenoic acid, 3-(4-hydroxyphenyl)-(7400-08-0)
EPA: p-Hydroxycinnamic acid (7400-08-0)

화학적 성질

Light yellow to beige crystalline powder with aroma, soluble in methanol, ethanol, DMSO and other organic solvents, derived from synthesis.

안전 및 규제

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GD9095000
HS 번호: 2918 29 00
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-36/37/39-22
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Hydroxycinnamic acid is the hydroxy derivative of Cinnamic Acid with antioxidant properties. It is a is a major component of lignocellulose. Studies suggest that 4-Hydroxycinnamic acid may reduce the risk of cancer by reducing the formation of carcinogenic nitrosamines. A recent study reports that 4-Hydroxycinnamic acid may act as a chemical castrator in bees by altering the epression of genes required for ovary development. This compound is common in pollen a major constituent of the worker bee diet, but it is not found in queen bees'royal jelly.

상·하류 제품 정보

상류 원료

노르디하이드로구아야레트산 L-(-)-페닐알라닌

하류 제품

Ciprofibrate 3 사이클로헥실 프로피온산 메틸3-(4-하이드록시페닐)프로피오네이트 3-아미노-3-(4-히드록시페닐)프로판산 4-하이드록시-B-니트로스티렌 볼튼헌터시약 N-(p-쿠마로일)세로토닌 Methyl p-coumarate 3-(4-Hydroxyphenyl)propenoic acid benzyl ester Methyl 4-prenyloxycinnamate 2-Propenoic acid, 3-[4-(decyloxy)phenyl]-

공급사50 곳

T&W GROUP021-61551611 13296011611 · [email protected]

金华市佰康生物工程有限公司0573-15557365800 15557365800

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

추가 설명

정의ChEBI: 4-coumaric acid is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate.