2-프로페날,3-(4-메틸페닐)-,(2E)

p-Methylcinnamaldehyde

HCID 5371802CAS 1504-75-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(/C=C/C=O)cc1
InChIKey
DKOUYOVAEBQFHU-NSCUHMNNSA-N
분자식
C10H10O
평균 분자량
146.19 g/mol
단동위원소 질량
146.07316494

개요

3-(4-Methylphenyl)-2-propenal is a member of cinnamaldehydes.

이름 및 식별자

우선 이름
p-Methylcinnamaldehyde
IUPAC
(E)-3-(4-methylphenyl)prop-2-enal
현지명
2-프로페날,3-(4-메틸페닐)-,(2E)
영어명
2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E)
분자식
C10H10O
분자량
146.19

이름 및 동의어

p-Methylcinnamaldehyde4-Methylcinnamaldehyde3-P-Tolylpropenal1504-75-22-Propenal, 3-(4-methylphenyl)-FEMA No. 3640Cinnamaldehyde, p-methyl-3-(P-Methylphenyl)propenalp-methyl cinnamaldehydeMethylcinnamaldehyde, p-9006RI7I1EP-METHYL CINNAMALDEHYDE [FHFI]
이름 더 보기
2-프로페날,3-(4-메틸페닐)-,(2E)(E)-p-Methylcinnamaldehyde(E)-4-Methylcinnamaldehyde(E)-3-p-tolylacrylaldehyderans-4-Methylcinnamaldehydetrans-p-Methylcinnamaldehydetrans-4-Methylcinnamaldehyde(E)-3-(4-Methylphenyl)acrolein(E)-3-(4-Methylphenyl)-2-propenal
DTXSID301009872RefChem:8581283-(p-Methylphenyl) propenalDTXCID00811411604-741-6(E)-3-(p-Tolyl)acrylaldehyde56578-35-93-(p-Tolyl)acrylaldehyde

데이터베이스 식별자

CAS
1504-75-2、56578-35-9
PubChem CID
5371802
DTXSID
DTXSID60862681
ChEMBL
CHEMBL5424444
ChEBI
CHEBI:173613
UNII
9006RI7I1E
EC Number
604-741-6
Nikkaji
J1.264.949E、J533.506J

물성

구조 계산 물성

XLogP
2.3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water; moderately soluble in oils

moderately soluble (in ethanol)

Boiling Point · 2건

154.00 °C. @ 25.00 mm Hg

154 °C (25 mm Hg)

Melting Point41.5 °C
Physical Description · 2건

Solid

Yellowish crystals

물리화학적 성질

녹는점
40 · 40-42℃
끓는 점
267 ℃ · 267℃
밀도
1.015 · 1.015
인화점
94 ℃ · 94℃
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
JECFA Number
682 · 682

안전 및 규제

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propenal, 3-(4-methylphenyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

2-Propenal, 3-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

HS 번호
2912290090
risk_code
36/38-43
hazard_code
Xi
safety_code
26-36/37

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

공급사50 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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