시린잘데하이드
Syringaldehyde
기본 정보
- CAS
134-96-3- 표준 SMILES
COc1cc(C=O)cc(OC)c1O- InChIKey
KCDXJAYRVLXPFO-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
개요
Syringaldehyde is a hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. It has a role as a hypoglycemic agent and a plant metabolite. It is a hydroxybenzaldehyde and a dimethoxybenzene.
이름 및 식별자
- 우선 이름
- Syringaldehyde
- IUPAC
- 4-hydroxy-3,5-dimethoxybenzaldehyde
- 현지명
- 시린잘데하이드
- 영어명
- Syringaldehyde
- 분자식
- C9H10O4
- 분자량
- 182.17
이름 및 동의어
SYRINGALDEHYDE134-96-34-Hydroxy-3,5-dimethoxybenzaldehyde3,5-Dimethoxy-4-hydroxybenzaldehydeSyringic aldehydeSyringylaldehydeBenzaldehyde, 4-hydroxy-3,5-dimethoxy-SyringealdehydeGallaldehyde 3,5-dimethyl ether2ZR01KTT21NSC-411532,6-DIMETHOXY-4-FORMYLPHENOL
이름 더 보기
시린잘데하이드시링알데하이드시링알데히드Lilac aldehydeFEMA 4049SYRINGA ALDEHYDESyringSyringaL
DTXSID2059643FEMA NO. 4049CHEBI:67380SYALRefChem:187004DTXCID60341824-H-3,5-DMBA205-167-5
데이터베이스 식별자
- CAS
134-96-3- PubChem CID
- 8655
- DTXSID
DTXSID2059643- ChEMBL
CHEMBL225303- ChEBI
CHEBI:67380- UNII
- 2ZR01KTT21
- EC Number
- 205-167-5
- Nikkaji
- J5.601D
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Plant Oils and Extracts
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Pale yellow solid; [Merck Index]
Very pale green needles; Alcoholic aroma
물리화학적 성질
- 녹는점
- 110 · 110-113 °C(lit.)
- 끓는 점
- 192 · 192-193 °C14 mm Hg(lit.)
- 밀도
- 1.013 · 1.013
- 굴절률
- 1.45 · 1.4500 (estimate)
- FEMA
- 4049 · 4049 | 4-HYDROXY-3,5,-DIMETHOXY BENZALDEHYDE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 1484 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 4-hydroxy-3,5-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 4-hydroxy-3,5-dimethoxybenzaldehyde (EC: 205-167-5)
Benzaldehyde, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes altered sleep time (including change in righting reflex) in intraperitoneal lethal-dose studies of mice (LD50 = 1,000 mg/kg); [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU5760000
- HS 번호
- 29124900
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39-36
화학 및 산업
용도 및 제조
UsesWidely distributed in plants. [Merck Index] Used as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzaldehyde, 4-hydroxy-3,5-dimethoxy-: ACTIVE
응용 분야
개요Syringaldehyde is an important constituent of many plant isolates and has widespread occurrence in wood products. It can be easily converted to trimethoxy-benzaldehyde which is an essential intermediate of the antibacterial drug trimethoprim. It is also used in the colorimetric determination of free chlorine in water.
출처Reported found in pineapple, beer, wine, grape brandy, rum, many different whisky products, sherry, roasted barley and hardwood smoke
용도Syringaldehyde is used in biological studies for the isolation and structural characterization of milled wood lignin, dioxane lignin, and cellulolytic lignin preparation from Brewer''s spent grain.
일반 설명Syringaldehyde is an aromatic phenolic aldehyde and a degradation product of lignin. It exhibits antioxidant activity and is reported to inhibit prostaglandin synthetase enzyme. The synthetic form of syringaldehyde is commercially used in pharmaceuticals, food, cosmetics, textiles, pulp and paper industries.
제조 방법
Vanillin is converted to 5-iodovanillin, which is treated with sodium methoxide to form 4-hydroxy-3,5- dimethyxybenzaldehyde.
상·하류 제품 정보
상류 원료
관련 반응
115건
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