2-하이드록시-4-메틸벤잘데하이드

2-Hydroxy-4-methylbenzaldehyde

HCID 61200CAS 698-27-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(C=O)c(O)c1
InChIKey
JODRRPJMQDFCBJ-UHFFFAOYSA-N
분자식
C8H8O2
평균 분자량
136.15 g/mol
단동위원소 질량
136.0524295

개요

2-Hydroxy-4-methylbenzaldehyde is a hydroxybenzaldehyde.

이름 및 식별자

우선 이름
2-Hydroxy-4-methylbenzaldehyde
IUPAC
2-hydroxy-4-methylbenzaldehyde
현지명
2-하이드록시-4-메틸벤잘데하이드
영어명
2-Hydroxy-4-methylbenzaldehyde
분자식
C8H8O2
분자량
136.15

이름 및 동의어

2-Hydroxy-4-methylbenzaldehyde4-Methylsalicylaldehyde2,4-CresotaldehydeBENZALDEHYDE, 2-HYDROXY-4-METHYL-2-Hydroxy-4-methyl-benzaldehyde2-Formyl-5-methylphenol4-Methyl-2-hydroxybenzaldehydem-Homosalicylaldehyde4-Methylsalicyclic aldehydeHomosalicylaldehyde, m-4-Methyl salicylaldehydeFEMA No. 3697
이름 더 보기
2-하이드록시-4-메틸벤잘데하이드2-HYDROXY-4-METHYLBENZ4-Methylsalicylaldehyde>2-Hydroxy-4-methylbenzaldehyde2-HYDROXY-4-METHYLBENZALDEHYDE 98+%2-Hydroxy-4-Methylbenzaldehyde, 97+%2-HYDROXY-4-METHYLBENZALDEHYDE USP/EP/BP2-Hydroxy-4-methylbenzaldehyde, 10 mM in DMSO
UNII-9N0S26G61Jm-Cresol-6-aldehydeDTXSID20744079N0S26G61J2-hydroxy-p-tolualdehydeEINECS 211-813-7FEMA 36972-HYDROXY-4-METHYL BENZALDEHYDE [FHFI]

데이터베이스 식별자

CAS
698-27-1
PubChem CID
61200
DTXSID
DTXSID2074407
ChEBI
CHEBI:178982
UNII
9N0S26G61J
EC Number
211-813-7
Nikkaji
J156.647D

물성

구조 계산 물성

XLogP
1.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 3건

very slightly

insoluble in water; soluble in organic solvents, oils

freely soluble (in ethanol)

Boiling Point · 2건

760.00 to 223.00 °C. @ 760.00 mm Hg

207 °C

Melting Point60 - 61 °C
Physical Description · 2건

Solid

colourless to light straw crystals with a strong, bitter-almond, phenolic odour

물리화학적 성질

녹는점
58 · 58-61 °C (lit.)
끓는 점
222 · 222-223℃
밀도
1.115 · 1.1150 (rough estimate)
굴절률
1.547 · 1.5470 (estimate)
FEMA
3697 · 3697 | 2-HYDROXY-4-METHYLBENZALDEHYDE
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

2-Hydroxy-4-methyl benzaldehyde is strong bitter-almond, phenolic odor

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (83.6%): 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 280 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzaldehyde, 2-hydroxy-4-methyl-

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

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Benzaldehyde, 2-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.6%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
PG3
HS 번호
29124900
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzaldehyde, 2-hydroxy-4-methyl-: ACTIVE
응용 분야 · 3건

개요2-Hydroxy-4-methylbenzaldehyde is strongly odorous.

출처Reported found in licorice.

용도The intermediate for synthesis of liquid crystal. Also used as pharmaceutical intermediate.

상·하류 제품 정보

공급사50 곳

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