기본 정보
- CAS
91-87-2- 표준 SMILES
CCCCCC(=Cc1ccccc1)C(OC)OC- InChIKey
QCHZKUPVENJLAW-UHFFFAOYSA-N- 분자식
- C16H24O2
- 평균 분자량
- 248.36 g/mol
- 단동위원소 질량
- 248.17763
개요
[2-(Dimethoxymethyl)-1-heptenyl]benzene is a member of benzenes.
이름 및 식별자
- 우선 이름
- [2-(Dimethoxymethyl)-1-heptenyl]benzene
- IUPAC
- 2-(dimethoxymethyl)hept-1-enylbenzene
- 영어명
- FEMA 2062
- 분자식
- C16H24O2
- 분자량
- 248.36
이름 및 동의어
2-(dimethoxymethyl)hept-1-enylbenzene91-87-2[2-(Dimethoxymethyl)-1-heptenyl]benzene(2-(Dimethoxymethyl)hept-1-en-1-yl)benzene[2-(dimethoxymethyl)hept-1-en-1-yl]benzenealpha-amyl cinnamaldehyde dimethyl acetalSCHEMBL874602orb2645960DTXSID1052612CHEBI:171701QCHZKUPVENJLAW-UHFFFAOYSA-NAAA09187
이름 더 보기
ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETALFEMA 20622-dimethoxymethyl-1-phenylhept-1-eneα-Amylcinnamaldehyde dimethyl acetalAMYL CINNAMIC ALDEHYDE DIMETHYL ACETAL[2-(Dimethoxymethyl)-1-heptenyl]benzolα-Amylcinnamaldehyde dimethyl acetal[2-(dimethoxymethyl)-1-heptenyl]-benzen[2-(dimethoxymethyl)-1-heptenyl]-BenzeneBenzene, 2-(dimethoxymethyl)-1-heptenyl-
?-Amylcinnamaldehyde dimethyl acetalNS00011961alpha-Amylcinnamaldehyde Dimethyl Acetal; a-Amylcinnamaldehyde dimethyl acetal
데이터베이스 식별자
- CAS
91-87-2- PubChem CID
- 62337
- DTXSID
DTXSID1052612- ChEBI
CHEBI:171701- EC Number
- 202-104-3
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
FragrancesFragrance substance (alpha-Amylcinnamicaldehyde dimethyl acetal) -> IFRA amendment 51
Density0.954-0.963
Solubility
slightly soluble in water
miscible (in ethanol)
Boiling Point300 °C
Refractive Index1.504-1.511
Physical DescriptionAlmost colourless to pale yellow, floral odour reminiscent of jasmine
물리화학적 성질
- 끓는 점
- 300 °C · 300 °C(lit.)
- 밀도
- 0.959 g/mL · 0.959 g/mL at 25 °C(lit.)
- FEMA
- 2062 · 2062 | ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETAL
- 굴절률
- 20 · n20/D 1.508(lit.)
- 인화점
- 230 °F · >230 °F
- 용해도
- Almost insoluble in water, soluble in alcohol and perfume materials.
- 냄새
- 100 %에서 · 100.00%에서. 엘레강트, 자스민, 릴리, 그린, 레몬
- 냄새 유형
- 꽃향기
- JECFA Number
- 681 · 681
- 주요 응용
- 의약품(소분자)
- 화장품 원료 기능
- 향수
- InChI
- 1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
- InChIKey
- QCHZKUPVENJLAW-FYWRMAATSA-N
- SMILES
- CCCCC\C(=C/c1ccccc1)C(OC)OC
- LogP
- 5.37 · 5.37
- EPA
- 2 · Benzene, [2-(dimethoxymethyl)-1-heptenyl]- (91-87-2)
화학적 성질
α-Amylcinnamaldehyde dimethyl acetal has a floral note reminiscent of jasmine.
Almost colorless slightly oily liquid, A yellouish tint or color usually indicates a significant content of the free aldehyde (ACA). Sp.Gr. 0.94. B.P. approx. 300℃. Almost insoluble in water, soluble in alcohol and perfume materials. Peculiar animal-green odor, mild and reminiscent of parts of the Jasmin complex, although not very floral unless composed with related Jasmin chemicals. The odor is strongly influenced by the presence of even minute amounts of free aldehyde.
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 85.8% (235 of 274) of all reports.
Warning
H315 (14.2%): 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 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD6837500
- HS 번호
- 2911005000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-11075
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
alpha-Amylcinnamicaldehyde dimethyl acetal
alpha-Amylcinnamicaldehyde dimethyl acetal; α-Amylcinnamicaldehyde dimethyl acetal; alpha-Amylcinnamaldehyde dimethyl acetal; α-Amylcinnamaldehyde dimethyl acetal; [2-(Dimethoxymethyl)hept-1-en-1-yl]benzene; 1,1-Dimethoxy-2-amyl-3-phenyl-2-propene; 1,1-Dimethoxy-2-benzylideneheptane; alpha-Amyl-beta-phenylacrolein dimethyl acetal; α-Amyl-β-phenylacrolein dimethyl acetal; alpha-Pentylcinnamaldehyde dimethyl acetal; α-Pentylcinnamaldehyde dimethyl acetal; Benzene, [2-(dimethoxymethyl)-1-heptenyl]-; [2-(Dimethoxymethyl)-1-heptenyl]benzene
IFRA_STD_240.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Restriction Limits in the Finished Product (%)
0.063 [Products applied to the lips]
0.019 [Products applied to the axillae]
0.38 [Products applied to the face/body using fingertips]
0.35 [Products related to fine fragrances]
0.089 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.089 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
제조 방법
α-Amylcinnamaldehyde dimethyl acetal is produced from Amylcinnamic aide Methyl alcohol by condensation.
상·하류 제품 정보
상류 원료
공급사7 곳
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
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