기본 정보
- CAS
1963-36-6- 표준 SMILES
COc1ccc(/C=C/C=O)cc1- InChIKey
AXCXHFKZHDEKTP-NSCUHMNNSA-N- 분자식
- C10H10O2
- 평균 분자량
- 162.18 g/mol
- 단동위원소 질량
- 162.06807956
개요
3-(4-Methoxyphenyl)-2-propenal is a member of cinnamaldehydes.
이름 및 식별자
- 우선 이름
- p-METHOXYCINNAMALDEHYDE
- IUPAC
- (E)-3-(4-methoxyphenyl)prop-2-enal
- 영어명
- trans-p-Methoxycinnamaldehyde
- 분자식
- C10H10O2
- 분자량
- 162.19
이름 및 동의어
4-Methoxycinnamaldehyde24680-50-0p-Methoxycinnamaldehydetrans-p-Methoxycinnamaldehydetrans-4-Methoxycinnamaldehyde2-propenal, 3-(4-methoxyphenyl)-, (2E)-3-(4-Methoxyphenyl)-2-propenalp-Methoxycinnamic aldehyde(2E)-3-(4-methoxyphenyl)prop-2-enalMethoxycinnamaldehyde, p-Cinnamaldehyde, p-methoxy-(2E)-3-(4-methoxyphenyl)acrylaldehyde
이름 더 보기
(E)-3-(4-Methoxyphenyl)acrylaldehydeFEMA 3567(E)-4-MethoxycinnamaldehydeP-METHOXY CINNAMIC ALDEHYDEPARA-METHOXY CINNAMIC ALDEHYDE(E)-para-methoxycinnamaldehyde(E)-3-(4-Methoxyphenyl)propenal
NSC-134287Cinnamaldehyde, p-methoxy-, (E)-2-Propenal, 3-(4-methoxyphenyl)-FEMA No. 35674-methoxy-cinnamaldehydeEINECS 217-807-0NSC 26454NSC-26454
데이터베이스 식별자
- CAS
1963-36-6、24680-50-0- PubChem CID
- 641294
- DTXSID
DTXSID1044308- ChEMBL
CHEMBL452173- ChEBI
CHEBI:196005- UNII
- 54098389BL
- EC Number
- 217-807-0、679-263-4
- Nikkaji
- J185.780K、J199.786F
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
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (p-Methoxycinnamaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fats
moderately soluble (in ethanol)
Boiling Point
160.00 °C. @ 3.00 mm Hg
277 °C
Melting Point58 - 59 °C
Physical Description
Solid
White to yellowish crystals, spicy floral odour
물리화학적 성질
- 녹는점
- 55 · 55-60 °C(lit.)
- 끓는 점
- 145 °C7 · 145 °C7 mm Hg(lit.)
- 밀도
- 1.0281 · 1.0281 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (235 of 235) of all reports.
Not Classified
Aggregated GHS information provided per 235 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H315 (91.1%): 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)
유해성 정보
Regulatory Information
Chemical: 2-Propenal, 3-(4-methoxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(4-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propenal, 3-(4-methoxyphenyl)-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (91.1%)
Not Classified
안전 데이터
- wgk
- 3
- HS 번호
- 29124990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Propenal, 3-(4-methoxyphenyl)-: ACTIVE
응용 분야
용도trans-p-Methoxycinnamaldehyde is used in the food industry as a flavor and fragrance agent. It also acts as a nematicidal agent in certain organisms.
일반 설명trans-p-Methoxycinnamaldehyde is an aromatic aldehyde reported to be found in Korean mint.
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