クミンアルデヒド

Cuminaldehyde

HCID 326CAS 122-03-2

基本情報

標準SMILES
CC(C)c1ccc(C=O)cc1
InChIKey
WTWBUQJHJGUZCY-UHFFFAOYSA-N
分子式
C10H12O
平均分子量
148.2 g/mol
単同位体質量
148.088815

名称と識別子

優先名称
Cuminaldehyde
IUPAC
4-propan-2-ylbenzaldehyde
現地名
クミンアルデヒド
英語名
Cuminaldehyde
分子式
C10H12O
分子量
148.2

名称と別名

4-isopropylbenzaldehydecuminaldehyde122-03-2cumaldehydecuminic aldehydecuminalp-cumic aldehydeCumic aldehydeCuminyl aldehydeBenzaldehyde, 4-(1-methylethyl)-P-ISOPROPYLBENZALDEHYDEp-Isopropylbenzenecarboxaldehyde
名称をさらに表示
クミンアルデヒドクマアルデヒドクミナールp-イソプロピルベンズアルデヒド4-(1-メチルエチル)-ベンズアルデヒド4-(1-メチルエチル)ベンズアルデヒドクミニルアルデヒドクムアルデヒド4-イソプロピルベンズアルデヒドp-クミンアルデヒドp-iso-プロピルベンズアルデヒドOIL4-(1-methylethyl)-BenzaldehydeFEMA 2341ISOPROPYLBENZALDEHYDE
4-(1-Methylethyl)benzaldehyde4-(Propan-2-Yl)Benzaldehyde4-propan-2-ylbenzaldehydeP-isopropyl benzaldehydeFEMA No. 2341DTXSID9021974O0893NC35FNSC-4886

データベース識別子

CAS
122-03-2
PubChem CID
326
DTXSID
DTXSID9021974
ChEMBL
CHEMBL161577
ChEBI
CHEBI:28671
UNII
O0893NC35F
EC Number
204-516-9
Nikkaji
J5.347C

物性

構造計算による物性

XLogP
2.7
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
11

物理化学的性質

融点
97 °C · 97 °C
沸点
235 · 235-236 °C(lit.)
比重(密度)
0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.529(lit.)
FEMA
2341 · 2341 | CUMINALDEHYDE
闪点
200 °F · 200 °F

化学的性質

化学的特性Cuminaldehyde has a strong, pungent, cumin-like odor and similar taste.

安全と法規制

安全データ

wgk
2
tsca
TSCA listed
rtecs
CU7000000
毒性
LD50 orally in rats: 1390 mg/kg (Jenner)
hs_code
29122900
risk_code
22-36/37/38

化学と産業

応用分野 · 5 件

用途スパイスフレーバーな どの食品香料およびシクラメンアルデヒドの合成原料

用途香料材料、有機合成原料。

天然物の起源Reported in a large number of essential oils, cumin, Acacia farnesiana, cinnamon, bitter orange, Mexican lime, Eucalyptus globulus, rue, boldus, Artemisia hausiliensis and others. Also reported in lemon and mandarin peel oil, cinnamon bark, anise, clove bud, cumin seed, turmeric, parsley, calabash nutmeg (Monodora myristica Dunal), angelica root, thyme, beef, brandy, grape and mastic gum fruit oil.

使用Cuminaldehyde is a flavoring agent that is a liquid, colorless to yellow in appearance, with a strong pungent odor resembling cumin oil. It is insoluble in water and soluble in alcohol and ether. It is obtained from cumin oil. It is also termed p-, cumaldehyde, and cuminal.

一般的な説明Cuminaldehyde is a constituent of cumin oil that exhibits strong antifungal and antibacterial activities.

調製方法 · 2 件

製造方法From p-isopropylbenzyl chloride and hexamethylenetetramine (Arctander, 1969).

純化方法A likely impurity is the benzoic acid. Check the IR for the presence of OH from CO2H, and the CO frequencies. If the acid is present, then dissolve the aldehyde in Et2O, wash it with 10% NaHCO3 until effervescence ceases, then with brine, dry over CaCl2, evaporate and distil the residual oil, preferably under vacuum. It is almost insoluble in H2O, but soluble in EtOH and Et2O. The thiosemicarbazone has m 147o after recrystallisation from aqueous EtOH, MeOH or *C6H6. [Crounse J Am Chem Soc 71 1263 1949, Bernstein et al. J Am Chem Soc 73 906 1951, Gensler & Berman J Am Chem Soc 80 4949 1958, Beilstein 7 H 318, 7 II 347, 7 III 1095, 7 IV 723.]

サプライヤー50 社

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Syntechem Co.,Ltd[email protected]

補足説明

定義ChEBI: A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.

関連反応

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