기본 정보
- CAS
1504-74-1- 표준 SMILES
COc1ccccc1C=CC=O- InChIKey
KKVZAVRSVHUSPL-UHFFFAOYSA-N- 분자식
- C10H10O2
- 평균 분자량
- 162.18 g/mol
- 단동위원소 질량
- 162.06807956
개요
(E)-O-methoxycinnamaldehyde has been reported in Illicium verum, Cinnamomum verum, and Cinnamomum burmanni with data available.
이름 및 식별자
- 우선 이름
- 2-Propenal, 3-(2-methoxyphenyl)-
- IUPAC
- 3-(2-methoxyphenyl)prop-2-enal
- 영어명
- 2'-Methoxycinnamaldehyde
- 분자식
- C10H10O2
- 분자량
- 162.19
이름 및 동의어
2-Propenal, 3-(2-methoxyphenyl)-RefChem:10644381504-74-12'-Methoxycinnamaldehyde3-(2-Methoxyphenyl)acrylaldehyde3-(2-methoxyphenyl)prop-2-enalDTXSID2025551o-Methoxy cinnamaldehydeO-Methoxyphenyl acrolein, beta-(E)-O-methoxycinnamaldehyde3-(2-Methoxyphenyl)-(2E)-2-propenal2-Methoxycimnamaldehyde
이름 더 보기
2-METHOXYCINNAMALDEHYDEO-METHOXYCINNAMALDEHYDEO-METHOXY CINNAMIC ALDEHYDEFEMA 3181(E)-2-MethoxycinnamaldehydeAKOS BBS-00003213o-MethoxycinnamaL3-(o-Anisyl)propenal2-MethoxyciamaldehydeO-Ethoxycinnamaldehyde
SCHEMBL43264orb1220339orb1299808SCHEMBL2118831SCHEMBL29393422KKVZAVRSVHUSPL-UHFFFAOYSA-N3-(2-Methoxyphenyl);acrylaldehydeKCA12524
데이터베이스 식별자
- CAS
1504-74-1- PubChem CID
- 15173
- DTXSID
물성
구조 계산 물성
- XLogP
- 1.7
- 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
- 163
실험 및 물리화학적 성질
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 녹는점
- 44 · 44-48 °C(lit.)
- 끓는 점
- 160 · 160-161 °C12 mm Hg(lit.)
- 밀도
- 1.0281 · 1.0281 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- FEMA
- 3181 · 3181 | O-METHOXYCINNAMALDEHYDE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 노란색
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 계피 계수나무 기름진 우디 종이
- 냄새 유형
- 매운
- 생물학적 소스
- synthetic
- JECFA Number
- 688 · 688
- 화장품 원료 기능
- 향수항산화제
- InChI
- 1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
- InChIKey
- KKVZAVRSVHUSPL-GQCTYLIASA-N
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 87.1% (263 of 302) of all reports.
Warning
H315 (12.9%): 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 302 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Propenal, 3-(2-methoxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(2-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (12.9%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD6590000
- HS 번호
- 29124990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 기존화학 물질
- 2015-3-6821
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Methoxycinnamal in the following categories is provided:
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propenal, 3-(2-methoxyphenyl)-: ACTIVE
응용 분야
개요o-Methoxycinnamaldehyde has a sweet, warm, spicy-floral odor with fruity undertones. It has a sweet, spicy, warm flavor, somewhat pungent above 200 - 300 ppm. It is formed after a long contact period between salicylaldehyde and acetaldehyde in diluted alkaline solution; it can be formed by condensation of salicylaldehyde methylether with acetaldehyde under alkaline conditions; from the corresponding oxime.
출처Reported found in cinnamon oil (Cinnamomum cassia Nees ex Bl.) from which it is separated as stearoptene; in cinnamon bark and leaf.
일반 설명Yellow crystals.
제조 방법
It is formed after a long contact period between salicylaldehyde and acetaldehyde in diluted alkaline solution; it may also be formed by condensation of salicylaldehyde methylether with acetaldehyde under alkaline conditions; from the corresponding oxime. It may be isolated and purified from powdered cinnamon.
상·하류 제품 정보
상류 원료
관련 반응
2건
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