아밀신나믹알데히드

아밀신나믹알데히드 · 쟈스미날,오스미날 · 아밀신남알 · AMYL CINNAMIC ALDEHYDE · AMYL CINNAMAL · Jasminaldehyde · Amylcinnamaldehyde · FEMA 2061

https://huagongshe.com/ko/chemical/31209

식별자 및 물리적 특성

CAS No.	122-40-7
분자식	C14H18O
평균 분자량	202.29 g/mol
단동위원소 질량	202.1357652 g/mol
SMILES	CCCCCC(C=O)=Cc1ccccc1
InChIKey	HMKKIXGYKWDQSV-UHFFFAOYSA-N
PubChem CID	31209
ChEMBL	CHEMBL3183519
ChEBI	CHEBI:196097
EC No.	204-541-5
DTXSID	DTXSID8029157
현지명	아밀신나믹알데히드

화학 및 물리적 성질

XLogP	4.2
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	6
무거운 원자 수	15
형식 전하	0
복잡도	199
화장품	Cosmetics ingredient -> BaseFlavorFragranceOther (Specify)Masking
향료	Fragrance substance (alpha-Amyl cinnamic aldehyde) -> IFRA amendment 49Fragrance Ingredient (alpha-Amylcinnamaldehyde) -> IFRA transparency List
LogP(분배 계수)	log Kow = 4.70
냄새	Jasmine-like odor꽃 자스민 냄새
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.9711 g/cu cm at 20 °C0.962-0.9690.97 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
Color/Form	Clear, yellow, oily liquid
용해도	Soluble in acetone, carbon tetrachlorideSoluble in 6 volumes of 80% alcoholInsoluble in watermiscible (in ethanol)Soluble in alcohol and perfume materials. Insoluble in water.
Endocrine Disruptors	Potential endocrine disrupting compound
끓는 점	284 °C284-287 °C287-290 °C(lit.)
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
녹는점	80°C
증기압	0.133Pa at 25℃
굴절률	n20/D 1.557(lit.)
FEMA	2061 \| ALPHA-AMYLCINNAMALDEHYDE
인화점	>230 °F
저장 조건	2-8°C
물리적 상태	liquid
색상	담황색 오일 또는 액체
생물학적 소스	synthetic
향취 유형	꽃향기
용해도	181.69mg/L at 25℃
JECFA Number	685
헨리 상수	1.3×100 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	향료 및 향
화장품 원료 기능	향수
InChI	1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+
InChIKey	HMKKIXGYKWDQSV-SDNWHVSQSA-N
SMILES	[H]C(/C(CCCCC)=C/C1=CC=CC=C1)=O
LogP(분배 계수)	2.498 at 25℃
NIST	Heptanal, 2-(phenylmethylene)-(122-40-7)
EPA	2-(Phenylmethylene)heptanal (122-40-7)

화학적 성질

alpha-Amylcinnamaldehyde has been identified as an aroma volatile of black tea. It is a light yellow liquid with a floral, slightly fatty odor, which becomes reminiscent of jasmine when diluted.The aldehyde is relatively unstable and must be stabilized by antioxidants. It is prepared from benzaldehyde and heptanal in the same way as cinnamaldehyde. -Amylcinnamaldehyde is a very popular fragrance substance for creating jasmine notes. It is stable to alkali and long-lasting; large quantities are used, particularly in soap perfumes.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2175) of reports.WarningH317 (94.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2175 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Heptanal, 2-(phenylmethylene)-Hazard Traits - Fragrance AllergenRegulation (EC) No 1831/2003 (amended)Heptanal, 2-(phenylmethylene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptanal, 2-(phenylmethylene)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: No longer Valid Update: 21-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20550Amyl Cinnamal: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Cinnamic aldehydes: Environment tier II assessment
TSCA 요건	Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91Reporting date: 11/27/91.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Heptanal, 2-(phenylmethylene)- is included on this list. Effective date: 9/30/91Sunset date: 6/30/98.
Peroxide Forming Chemical	alpha-AmylcinnamaldehydeD*: Other compounds that may form peroxidesBretherick'sNo peroxide incident data available, however this chemical is prone to spontaneious oxidative heating upon exposure to air. See Bretherick's.Anon., Chem. Trade. J., 1937, 100, 362

용도

개요

Amylcinnamic aldehyde is an oxidation product of amylcinnamic alcohol, one component of the "fragrance mix" and can be found as a sensitizer in cases of contact dermatitis in bakers.

출처

Reported found in black tea and soybean

용도

amyl cinnamal is used as a fragrance. Although it is naturally occurring in some plants, it is most often synthetically derived when used in cosmetic products.

일반 설명

The short-term feeding studies in rats was carried out using α-amylcinnamaldehyde, a flavouring matter.

제조 및 합성 방법

제조 방법

By condensation of n-amyl aldehyde with cinnamic aldehyde. This method of condensation of aromatic aldehydes with aliphatic aldehydes has the maximum yield in α-amylcinnamic aldehyde with little formation of the inferior homologs. The methyl, ethyl and propyl amylcinnamic aldehyde analogs exhibit a characteristic scent.