기본 정보
- CAS
537-33-7- 표준 SMILES
COc1cc(C=CCO)cc(OC)c1O- InChIKey
LZFOPEXOUVTGJS-UHFFFAOYSA-N- 분자식
- C11H14O4
- 평균 분자량
- 210.23 g/mol
- 단동위원소 질량
- 210.08920892
개요
sinapic alcohol has been reported in Aeschynanthus bracteatus, Fagus grandifolia, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 4-Hydroxy-3,5-dimethoxy-cinnamyl alcohol
- IUPAC
- 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenol
- 현지명
- 시나필알코올
- 영어명
- Sinapyl alcohol
- 분자식
- C11H14O4
- 분자량
- 210.23
이름 및 동의어
MFCD00192441orb1940109SCHEMBL1457517DTXSID10895025AKOS0281133284-hydroxy-3,5-dimethoxy-cinnamyl alcohol4-(3-hydroxyprop-1-enyl)-2,6-dimethoxy-phenolF8690374-(3-Hydroxy-1-propen-1-yl)-2,6-dimethoxyphenol시나필알코올Sipyl AlcoholSINAPYL ALCOHOL
이름 더 보기
Sinapic alcoholp-Synapyl alcoholSinapyl Alcohol (>85%)SINAPYL ALCOHOL, TECH., 80%Sinapyl alcohol, 10 mM in DMSOSinapyl alcohol technical grade, 80%4-HYDROXY-3,5-DIMETHOXYCINNAMYL ALCOHOL3,5-DIMETHOXY-4-HYDROXYCINNAMYL ALCOHOL
데이터베이스 식별자
- CAS
537-33-7- PubChem CID
- 439703
- DTXSID
DTXSID10895025
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 191
물리화학적 성질
- 녹는점
- 61 to · 61 to 65 °C (142 to 149 °F; 334 to 338 K)
- 끓는 점
- 384.7 · 384.7±37.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 인화점
- Not applicable
- 저장 조건
- 2 · 2-8°C
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
- 산도 계수 (pKa)
- 10 · 10.00±0.40(Predicted)
- 물리적 상태
- solid
- 색상
- Colourless
- 안정성
- 감광성
- InChI
- 1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
- InChIKey
- LZFOPEXOUVTGJS-ONEGZZNKSA-N
- SMILES
- COc1cc(\C=C\CO)cc(OC)c1O
- LogP
- 1.361 · 1.361 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Sinapyl alcohol is an organic compound structurally related to cinnamic acid. It is biosynthetized via the phenylpropanoid biochemical pathway, its immediate precursor being sinapaldehyde. This phytochemical is one of the monolignols, which are precursor to lignin or lignans. It is also a biosynthetic precursor to various stilbenoids and coumarins.
용도Sinapyl alcohol, a monolignol, is a primary lignin monomer. It has been evaluated for anti-inflammatory and antinociceptive activities. It participates in the initial stages in the biosynthesis of lignin. Coupling reactions of sinapyl alcohol and sinapyl p-hydroxybenzoate has been reported. Preparation of sinapyl alcohol by selective 1,2-reduction of corresponding cinnamate esters using diisobutylaluminium hydride as reducing agent has been studied.
일반 설명Sinapyl alcohol, a monolignol, is a primary lignin monomer. It has been evaluated for anti-inflammatory and antinociceptive activities. It participates in the initial stages in the biosynthesis of lignin. Coupling reactions of sinapyl alcohol and sinapyl p-hydroxybenzoate has been reported. Preparation of sinapyl alcohol by selective 1,2-reduction of corresponding cinnamate esters using diisobutylaluminium hydride as reducing agent has been studied.
공급사75 곳
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