기본 정보
- CAS
20649-40-5- 표준 SMILES
OC/C=C/c1ccc(O)cc1- InChIKey
PTNLHDGQWUGONS-OWOJBTEDSA-N- 분자식
- C9H10O2
- 평균 분자량
- 150.17 g/mol
- 단동위원소 질량
- 150.06807956
개요
Trans-p-coumaryl alcohol is 4-Hydroxycinnamyl alcohol with E-configuration of the propenyl double bond. It is one of the main monolignols. It has a role as a monolignol. It is a phenylpropanoid, a 4-hydroxycinnamyl alcohol and a member of phenols. It is functionally related to an (E)-cinnamyl alcohol.
이름 및 식별자
- 우선 이름
- p-Coumaryl alcohol
- IUPAC
- 4-[(E)-3-hydroxyprop-1-enyl]phenol
- 영어명
- Phenol, 4-[(1E)-3-hydroxy-1-propenyl]-
- 분자식
- C9H10O2
- 분자량
- 150.17
이름 및 동의어
p-Coumaryl alcohol3690-05-94-Coumaryl alcoholParacoumaryl alcoholtrans-p-Coumaryl alcoholp-Coumaric alcoholp-Hydroxycinnamic alcohol61POZ1QQ112-Propen-1-ol, 3-(p-hydroxyphenyl)-Phenol, 4-((1E)-3-hydroxy-1-propenyl)-2-Propen-1-ol, 3-(p-hydroxyphenyl)-, (E)-4-(3-Hydroxy-1-propen-1-yl)phenol
이름 더 보기
(E)-p-Hydroxycinnamyl alcohol(E)-4-(3-Hydroxy-1-propen-1-yl)phenol
CHEBI:64555Phenol, 4-[(1E)-3-hydroxy-1-propenyl]-RefChem:802420649-40-5(e)-p-coumaryl alcohol4-Hydroxycinnamyl alcohol4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol4-[(E)-3-hydroxyprop-1-enyl]phenol
데이터베이스 식별자
- CAS
20649-40-5、3690-05-9- PubChem CID
- 5280535
- DTXSID
DTXSID50895024- ChEMBL
CHEMBL109034- ChEBI
CHEBI:64555- UNII
- 61POZ1QQ11
- EC Number
- 609-308-5、832-327-7
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 124
실험 및 물리화학적 성질
Melting Point213.5 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 114 · 114-116 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- 끓는 점
- 323.5 · 323.5±22.0 °C(Predicted)
- 밀도
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.99 · 9.99±0.26(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, 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.
Warning
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (33.3%)
Acute Tox. 4 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Chemical substances or agents with contraceptive activity in males. Use for male contraceptive agents in general or for which there is no specific heading.
Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.
Tissue LocationsTestis
Cellular LocationsCytoplasm
상·하류 제품 정보
하류 제품
공급사14 곳
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
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