基本情報
- CAS
91-87-2- 標準SMILES
CCCCCC(=Cc1ccccc1)C(OC)OC- InChIKey
QCHZKUPVENJLAW-UHFFFAOYSA-N- 分子式
- C16H24O2
- 平均分子量
- 248.36 g/mol
- 単同位体質量
- 248.17763
概要
[2-(Dimethoxymethyl)-1-heptenyl]benzene is a member of benzenes.
名称と識別子
- 優先名称
- [2-(Dimethoxymethyl)-1-heptenyl]benzene
- IUPAC
- 2-(dimethoxymethyl)hept-1-enylbenzene
- 現地名
- [2-(ジメトキシメチル)-1-ヘプテニル]ベンゼン
- 英語名
- FEMA 2062
- 分子式
- C16H24O2
- 分子量
- 248.36
名称と別名
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
名称をさらに表示
α-アミルシンナムアルデヒドジメチルアセタール[2-(ジメトキシメチル)-1-ヘプテニル]ベンゼン2アミルシンナムアルデヒドジメチルアセタ-ル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
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 225
実験および物理化学的性質
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
物理化学的性質
- 沸点
- 300 °C · 300 °C(lit.)
- 比重(密度)
- 0.959 g/mL · 0.959 g/mL at 25 °C(lit.)
- FEMA
- 2062 · 2062 | ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETAL
- 屈折率
- 20 · n20/D 1.508(lit.)
- 闪点
- 230 °F · >230 °F
- 溶解性
- Almost insoluble in water, soluble in alcohol and perfume materials.
- 臭い (Odor)
- 100 %で。エレガント、ジャスミン、ユリ、グリーン、レモン · 100.00%で。エレガント、ジャスミン、ユリ、グリーン、レモン
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD6837500
- hs_code
- 2911005000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
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)]
調製方法
製造方法α-Amylcinnamaldehyde dimethyl acetal is produced from Amylcinnamic aide Methyl alcohol by condensation.
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