시린잘데하이드

Syringaldehyde

HCID 8655CAS 134-96-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc(C=O)cc(OC)c1O
InChIKey
KCDXJAYRVLXPFO-UHFFFAOYSA-N
분자식
C9H10O4
평균 분자량
182.17 g/mol
단동위원소 질량
182.0579088

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

실험 및 물리화학적 성질

Solubility · 2건

Insoluble in water

Soluble (in ethanol)

Physical Description · 2건

Pale yellow solid; [Merck Index]

Very pale green needles; Alcoholic aroma

Kovats Retention Index · 3건

1652；1654；1617；1624.2；289.6

1670.3；1662；1669；1667；1643；1664；1670；1658；1662.8；1659.5

2934；2930；2904；2907.3

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
인화점
192 · 192-193°C/14mm

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (> 99.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzaldehyde, 4-hydroxy-3,5-dimethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 22-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23123

Benzaldehyde, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (> 99.9%)

규제 정보

Regulatory Information · 4건

Chemical: Benzaldehyde, 4-hydroxy-3,5-dimethoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 22-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23123

Benzaldehyde, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CU5760000
HS 번호
29124900
risk_code
22-36/37/38
hazard_code
Xn,Xi

화학 및 산업

용도 및 제조

UsesWidely distributed in plants. [Merck Index] Used as flavoring agent or adjuvant; [FDA]
Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationBenzaldehyde, 4-hydroxy-3,5-dimethoxy-: ACTIVE
응용 분야 · 4건

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: 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.

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