p-アニスアルデヒド(123-11-5)

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p-アニスアルデヒド 製品概要
化学名:p-アニスアルデヒド
英語化学名:p-Anisaldehyde
别名:LABOTEST-BB LT00920037;AKOS BBS-00003185;ANISALDEHYDE extrapure;Anisaldehyde solution;p-Methoxybenzafdehyde;P-ANISALDEHYDE;FEMA 2670;AUBE'PINE
CAS番号:123-11-5
分子式:C8H8O2
分子量:136.15
EINECS:204-602-6
カテゴリ情報:Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Synthetic Flavours & Fragrances;aldehyde;TLC Stains;Analytical Chemistry;Functional Materials;A;Stains and Dyes;Stains&Dyes, A to;123-11-5
Mol File:123-11-5.mol
p-アニスアルデヒド
p-アニスアルデヒド 物理性質
融点 -1 °C
沸点 248 °C(lit.)
比重(密度) 1.121
蒸気密度4.7 (vs air)
蒸気圧<1 hPa (20 °C)
FEMA 2670 | P-METHOXYBENZALDEHYDE
屈折率 n20/D 1.573(lit.)
闪点 228 °F
貯蔵温度 Store below +30°C.
溶解性2g/l
外見 Liquid
Clear colorless to yellow
PH7 (2g/l, H2O, 20℃)
臭い (Odor)sweetish odor
爆発限界(explosive limit)1.4-5.3%(V)
においのタイプanisic
水溶解度 Miscible with acetone, alcohol, ether, chloroform and benzene. Immiscible with water.
Sensitive Air Sensitive
Decomposition > 160°C
Merck 14,663
JECFA Number878
BRN 471382
Dielectric constant15.8(20℃)
InChIKeyZRSNZINYAWTAHE-UHFFFAOYSA-N
LogP1.56 at 25℃
CAS データベース123-11-5(CAS DataBase Reference)
NISTの化学物質情報Benzaldehyde, 4-methoxy-(123-11-5)
EPAの化学物質情報Benzaldehyde, 4-methoxy- (123-11-5)
安全性情報
主な危険性 Xn,Xi,T,F
Rフレーズ 22-36/37/38-39/23/24/25-23/24/25-11-R22-36/38
Sフレーズ 26-36-45-36/37-16-7
WGK Germany 1
RTECS 番号BZ2625000
10-23
自然発火温度220 °C
TSCA Yes
国連危険物分類 IRRITANT
HSコード 29124900
有毒物質データの123-11-5(Hazardous Substances Data)
毒性LD50 orally in rats: 1510 mg/kg (Jenner)
MSDS Information
ProviderLanguage
Anisic aldehyde English
SigmaAldrich English
ACROS English
ALFA English
p-アニスアルデヒド Usage And Synthesis
外観無色~うすい黄褐色, 澄明の液体
定義本品は、次の化学式で表される有機化合物である。
溶解性水に微溶。エタノール, アセトンに易溶。エタノール及びアセトンに極めて溶けやすく、水に溶けにくい。
解説

P-アニスアルデヒド液体,沸点248 ℃.d2041.1143,d1515 1.127~1.130.n20D 1.5713.有機溶媒に可溶,水に微溶.特有の香りをもち,スイートピーなどの花精油の調合用,せっけん用の香料,医薬品の合成原料に用いられる.
森北出版「化学辞典(第2版)

用途花精油(スイートピー、ホーソン、アカシア、ミモサ、ライラック)香料。 セッケン香料として用いられる。
用途香料、トイレ用石鹸
製造p-アニスアルデヒド,アニス油,ういきょう油などのなかに存在するが,p-メトキシトルエンを二酸化マンガンその他で酸化して合成される.
化粧品の成分用途香料
使用上の注意アルゴン封入
説明p-Methoxybenzaldehyde has a characteristic hawthorne odor and a pungent, anise-like flavor. It has a bitter flavor above 30 - 40 ppm. May be prepared by methylation and oxidation of p-cresol and also by oxidation of anethole.
化学的特性p-Anisaldehyde is a colorless to slightly yellowish liquid with a sweet, mimosa, hawthorn odor. It occurs in many essential oils, often together with anethole. It can be hydrogenated to anise alcohol and readily oxidizes to anisic acid when exposed to air. It is miscible in alcohol, ether, and most fixed oils, soluble in propylene glycol, insoluble in glycerin, water, and mineral oil.
天然物の起源Reported found in essential oils and extracts of vanilla, Acacia farmesiana Willd., Magnoila salicifolia Maxim., Erica arborea, Pirus communis, Boswellia serrata, and others; also in anise, fennel and star anise (especially when aged due to the oxidation of anethole), cranberry, black currant, cinnamon and basil.
使用4-Methoxybenzaldehyde is widely utilized in the fragrance and flavor industry. It finds application as an important intermediate in the synthesis of other organic compounds, perfumes and pharmaceuticals like antihistamines. It is also used in the preparation of agrochemicals, dyes and plastic additives. A solution of para-anisaldehyde with acid and ethanol is used as stain in thin layer chromatography (TLC), which provides easy identification of different compounds.
使用Perfumery and toilet soaps; odor resembles that of coumarin, but the aldehyde must be mixed with other odorous substances to yield an agreeable odor. Also used in organic syntheses.
定義ChEBI: P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a human urinary metabolite, a plant metabolite and a bacterial metabolite.
製造方法By methylation and oxidation of p-cresol and also by oxidation of anethole.
Aroma threshold valuesAroma characteristics at 1.0%: sweet powdery, spicy creamy, fruity, vanilla and hay-like. Coumarin, almond, anisic with berry nuances.
Taste threshold valuesTaste characteristics at 5 to 10 ppm: sweet powdery, vanilla creamy, spice anise, nutty, cherry pit and almond-like nuances.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 42, p. 1041, 1994 DOI: 10.1248/cpb.42.1041
Tetrahedron Letters, 43, p. 1395, 2002 DOI: 10.1016/S0040-4039(02)00027-8
一般的な説明p-anisaldehyde is an aromatic aldehyde commonly found in anise seed oil. It shows acaricidal activity and is primarily used, as a lead compound for the development of new agents for the selective control of house dust mites.
燃焼性と爆発性Non flammable
Biochem/physiol ActionsTaste at 5-10 ppm
安全性プロファイルModerately toxic by ingestion. A skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes
targetAntifection
代謝Anisic aldehyde undergoes a very slight degree of demethylation with oxidation of its aldehyde group to an acid group, the major metabolite excreted being anisic acid (Williams, 1959).
純化方法Wash the aldehyde with saturated aqueous NaHCO3, then H2O, steam distil, extract the distillate with Et2O, dry (MgSO4) the extract, filter and distil this under a vacuum and N2. Store it in glass ampules under N2 in the dark. [Beilstein 8 IV 252.]
Tags:123-11-5