엠-아니스알데히드

3-Methoxybenzaldehyde

HCID 11569CAS 591-31-1
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기본 정보

표준 SMILES
COc1cccc(C=O)c1
InChIKey
WMPDAIZRQDCGFH-UHFFFAOYSA-N
분자식
C8H8O2
평균 분자량
136.15 g/mol
단동위원소 질량
136.0524295

개요

3-methoxybenzaldehyde is a member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. It has a role as a Brassica napus metabolite. It is a member of benzaldehydes and a monomethoxybenzene.

이름 및 식별자

우선 이름
3-Methoxybenzaldehyde
IUPAC
3-methoxybenzaldehyde
현지명
엠-아니스알데히드
영어명
3-Methoxybenzaldehyde
분자식
C8H8O2
분자량
136.15

이름 및 동의어

3-Methoxybenzaldehyde591-31-13-AnisaldehydeBenzaldehyde, 3-methoxy-MetamethoxybenzaldehydeDTXSID50444478ZAO7S0IVHNSC-43794DTXCID3024447CHEBI:136805RefChem:94623209-712-8
이름 더 보기
엠-아니스알데히드m-아니스알데하이드3-메톡시벤즈알데히드3-methoxy-benzaldehyd3-methoxybenzaldehdem-AnisaLANISALDEHYDE,3-META-ANISALDEHYD
M-ANISALDEHYDEm-Methoxybenzaldehyde3-Methoxy-benzaldehydeMFCD00003361CCRIS 960META-ANISALDEHYDEEINECS 209-712-8UNII-8ZAO7S0IVH

데이터베이스 식별자

CAS
591-31-1
PubChem CID
11569
DTXSID
DTXSID5044447
ChEMBL
CHEMBL22585
ChEBI
CHEBI:136805
UNII
8ZAO7S0IVH
EC Number
209-712-8
Nikkaji
J6.757A

물성

구조 계산 물성

XLogP
1.8
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.710
Flavoring AgentsEU Flavoring substances
Boiling Point143.00 °C. @ 50.00 mm Hg
Physical DescriptionLiquid

물리화학적 성질

녹는점
187 °C · 187 °C
끓는 점
143 °C50 · 143 °C50 mm Hg(lit.)
밀도
1.117 g/mL · 1.117 g/mL at 20 °C(lit.)
증기압
1.3 hPa · 1.3 hPa (73 °C)
굴절률
20 · n20/D 1.553(lit.)
인화점
230 °F · >230 °F

화학적 성질

clear pale yellow to yellow liquid. Soluble in ethanol, diethyl ether, and benzene; insoluble in water.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6% (5 of 84) of reports.

Warning

H315 (94%): 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 84 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 3-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Benzaldehyde, 3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (94%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BZ2605000
독성
sce-hmn:lyms 1 mmol/L MUREAV 206,17,88
HS 번호
29124900
risk_code
36/37/38-36/38

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationBenzaldehyde, 3-methoxy-: INACTIVE
응용 분야 · 2건

용도3-Methoxybenzaldehyde is used to prepare 3-(3-methoxy-phenyl)-1-phenyl-propenone by reaction with benzldehyde. It is used as an eluent for mono-13C isotopomers of vanillin in normal phase silica gel chromatography. It acts as an inhibitor of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) metabolism.

일반 설명m-Anisaldehyde has significant antifungal activity against Candida sp., including the azole-resistant strains.

제조 방법

3-Methoxybenzaldehyde is obtained by the reaction of m-hydroxybenzaldehyde and dimethyl sulfate.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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