디메틸벤즈알데히드(2,4-)

2,4-Dimethylbenzaldehyde

HCID 61814CAS 15764-16-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(C=O)c(C)c1
InChIKey
GISVICWQYMUPJF-UHFFFAOYSA-N
분자식
C9H10O
평균 분자량
134.17 g/mol
단동위원소 질량
134.07316494

개요

2,4-Dimethylbenzaldehyde is a carbonyl compound.

이름 및 식별자

우선 이름
2,4-Dimethylbenzaldehyde
IUPAC
2,4-dimethylbenzaldehyde
현지명
디메틸벤즈알데히드(2,4-)
영어명
2,4-Dimethylbenzaldehyde
분자식
C9H10O
분자량
134.18

이름 및 동의어

2,4-Dimethylbenzaldehyde15764-16-6Benzaldehyde, 2,4-dimethyl-2,4-dimethyl benzaldehyde2,4-Xylylaldehyde1-Formyl-2,4-dimethylbenzene2,4-DimethylbenzenecarboxaldehydeFEMA No. 3427I06YU18H4AEINECS 239-856-7DTXSID601662972,4-DIMETHYLBENZALDEHYDE [FHFI]
이름 더 보기
디메틸벤즈알데히드(2,4-)2,4-다이메틸벤즈알데하이드2,4-디메틸벤즈알데히드2,4-dimethyl-benzaldehydDiMethylbenzaldehydeFEMA 3427m-Xylyl-4-aldehyde2,4-Dimethylbenzalde2,3-Dimethybenzaldehyde
2,4XylylaldehydeRefChem:4437711Formyl2,4dimethylbenzeneBenzaldehyde, 2,4dimethyl2,4DimethylbenzenecarboxaldehydeDTXCID7088788239-856-7MFCD00003340

데이터베이스 식별자

CAS
15764-16-6
PubChem CID
61814
DTXSID
DTXSID60166297
ChEBI
CHEBI:178624
UNII
I06YU18H4A
EC Number
239-856-7
Nikkaji
J43.037D

물성

구조 계산 물성

XLogP
2.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.992-1.017
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

물리화학적 성질

녹는점
-9 °C · -9 °C (lit.)
끓는 점
102 · 102-103 °C/14 mmHg (lit.)
밀도
0.962 g/mL · 0.962 g/mL at 25 °C (lit.)
증기압
1 hPa · 1 hPa (20 °C)
FEMA
3427 · 3427 | 2,4-DIMETHYLBENZALDEHYDE
굴절률
20 · n20/D 1.549(lit.)

화학적 성질

2,4-Dimethylbenzaldehyde has a mild, sweet, bitter-almond odor.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.2% (89 of 1440) of reports.

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1440 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 2,4-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Hazards SummaryAn irritant; [MSDSonline] See ALDEHYDES.
Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

안전 데이터

wgk
3
HS 번호
29122900
risk_code
36/37/38-52/53-41-37/38
hazard_code
Xi
safety_code
24/25-39-26
기존화학 물질
KE-11205

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

응용 분야

출처Reported found in cognac, brandy, black tea, grape, juniper berry and clam

일반 설명The D values of 2,4-Dimethylbenzaldehyde were studied.

제조 방법

By passing HCl into a mixture of o-xylole, aluminum chloride, sodium cyanide at 100°C.

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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

관련 반응

55건
반응 기록 만들기

연결된 노트

불러오는 중…