기본 정보
- CAS
530-57-4- 표준 SMILES
COc1cc(C(=O)O)cc(OC)c1O- InChIKey
JMSVCTWVEWCHDZ-UHFFFAOYSA-N- 분자식
- C9H10O5
- 평균 분자량
- 198.17 g/mol
- 단동위원소 질량
- 198.05282342
개요
Syringic acid is a dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. It has a role as a plant metabolite. It is a member of benzoic acids, a member of phenols and a dimethoxybenzene. It is functionally related to a gallic acid. It is a conjugate acid of a syringate.
이름 및 식별자
- 우선 이름
- Syringic Acid
- IUPAC
- 4-hydroxy-3,5-dimethoxybenzoic acid
- 현지명
- 시리닉산
- 영어명
- Syringic acid
- 분자식
- C9H10O5
- 분자량
- 198.17
이름 및 동의어
SYRINGIC ACID530-57-44-Hydroxy-3,5-dimethoxybenzoic acid3,5-Dimethoxy-4-hydroxybenzoic acidCedar acidGallic acid 3,5-dimethyl etherBenzoic acid, 4-hydroxy-3,5-dimethoxy-DTXSID0060191NSC-2129E390O181H5CHEBI:68329DMHB acid
이름 더 보기
시리닉산시링산시린직애씨드SyringateNSC 2129cedaracidSuringic acidSyringle acidRARECHEM AL BE 0102SYRA
RefChem:6278DTXCID2041337208-486-8215-884-5Syringicacid3,5-Dimethoxy-4-hydroxybenzyl acidMFCD00002552CHEMBL1414
데이터베이스 식별자
- CAS
530-57-4- PubChem CID
- 10742
- DTXSID
DTXSID0060191- ChEMBL
CHEMBL1414- ChEBI
CHEBI:68329- UNII
- E390O181H5
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
LogP
1.04
1.13
Flavoring AgentsEU Flavoring substances
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point440.00 °C. @ 760.00 mm Hg
Melting Point206 - 209 °C
Vapor Pressure0.00000291 [mmHg]
Physical Description
Light brown powder; [Sigma-Aldrich MSDS]
Solid
물리화학적 성질
- 녹는점
- 205 · 205-209 °C (lit.)
- 끓는 점
- 192 · 192-193°C 14mm
- 밀도
- 1.2539 · 1.2539 (rough estimate)
- 굴절률
- 1.457 · 1.4570 (estimate)
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 75 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 4-hydroxy-3,5-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzoic acid, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses other liver changes, effects on transferases, and effects on inflammation in acute intraperitoneal studies of mice; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DH2090000
- HS 번호
- 29189090
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
용도 및 제조
General Manufacturing InformationBenzoic acid, 4-hydroxy-3,5-dimethoxy-: ACTIVE
응용 분야
개요Syringic acid is a naturally occurring O-methylated phenolic acid that can be enzymatically degraded by some bacteria as a source of methane or methanol. It is also a component of phenolic extracts from various plants that have antioxidant and prooxidant activities. Syringic acid has been shown to inhibit aldose reductase (IC50 = 213 μg/ml), proteasome activity, and cancer cell proliferation. Phenolic extracts containing syringic acid have been shown to inhibit α-amylase and α-glucosidase activities and reduce lipid peroxidation in vitro.
용도Syringic Acid is used in biological studies for electron transfer from plant phenolates to carotenoid radical cations with antioxidant interaction entering the Marcus theory inverted region.
상·하류 제품 정보
상류 원료
관련 반응
39건
화합물 노트
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