4-イソプロピルベンジルアルコール

Cuminol

HCID 325CAS 536-60-7

基本情報

標準SMILES
CC(C)c1ccc(CO)cc1
InChIKey
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
分子式
C10H14O
平均分子量
150.22 g/mol
単同位体質量
150.10446507

名称と識別子

優先名称
Cuminol
IUPAC
(4-propan-2-ylphenyl)methanol
現地名
4-イソプロピルベンジルアルコール
英語名
4-ISOPROPYLBENZYL ALCOHOL
分子式
C10H14O
分子量
150.22

名称と別名

CuminolRefChem:5243354-isopropylbenzyl alcohol536-60-7Cumic alcohol(4-Isopropylphenyl)methanolcuminyl alcoholcuminic alcoholCumyl alcoholp-Cymen-7-olp-Isopropylbenzyl alcoholCUMIN ALCOHOL
名称をさらに表示
4-イソプロピルベンジルアルコール4-(1-メチルエチル)ベンジルアルコール4-イソプロピルベンゼンメタノールクミルアルコール4-(1-メチルエチル)ベンゼンメタノールクミンアルコールクミニルアルコールp-シメン-7-オールp-イソプロピルベンジルアルコールクミノールP-ISO-プロピルベンジルアルコールイソプロピルベンジルアルコールP‐イソプロピルベンジルアルコール(4-イソプロピルフェニル)メタノール4-(1-methylethyl)-BenzenemethanolFEMA 2933
p-cumic alcoholBenzenemethanol, 4-(1-methylethyl)-4-(1-Methylethyl)benzenemethanolBenzyl alcohol, p-isopropyl-[4-(Propan-2-Yl)Phenyl]Methanol(4-propan-2-ylphenyl)methanolpara-cymen-7-olp-cymene-7-ol

データベース識別子

CAS
536-60-7
PubChem CID
325
DTXSID
DTXSID0021626
ChEMBL
CHEMBL3183500
ChEBI
CHEBI:27628
UNII
V261W8XR62
EC Number
208-640-4
Nikkaji
J6.353C

物性

構造計算による物性

XLogP
2.3
極性表面積
20.2 Ų
水素結合供与体数
1
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
28 °C · 28 °C
沸点
135 · 135-136 °C/26 mmHg (lit.)
比重(密度)
0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
FEMA
2933 · 2933 | P-ISOPROPYLBENZYL ALCOHOL
屈折率
20 · n20/D 1.519(lit.)
闪点
230 °F · >230 °F
化学的性質 · 1 件

化学的特性4-Isopropylbenzyl alcohol is a clear colourless to slightly yellow liquid. Very poorly soluble in water, soluble in alcohol and oils. Sp.Gr. 0.98. B.P. 248℃. Oily-spicy odor, suggestive of Dillseed or Caraway, but not pungent or sharp like Carvone. Warm, almost burning, spicy-oily-woody taste.

安全と法規制

安全データ

wgk
2
tsca
TSCA listed
rtecs
GZ7260000
毒性
The acute oral LD50 in rats was reported as 1.02 g/kg (0.9-1.14 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as 2.5 g/kg (0.5-3.0 g/kg) (Moreno, 1973).
hs_code
29062990
risk_code
22-38-36/37/38-20/21/22

化学と産業

応用分野 · 4 件

説明p-Isopropylbenzyl alcohol has an intense, persistent, caraway-like odor and an aromatic, burning taste. Prepared from cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst; or by catalytic reduction of methyl p-isopropy lbenzoate.

天然物の起源Reported found in the oil from fruits of Cuminum cyminum and Carum carvi L.; also in the oils of Eucalyptus bakeris (esterified) and French lavender. Also reported found in mandarin peel oil, lingonberry, black currants, blackberry, tomato, cumin seed, peppermint oil, nutmeg, thymus, cognac, licorice, lovage seed, dill, laurel, turmeric, calabash nutmeg, angelica root oil and mastic gum leaf and fruit oil

使用4-Isopropylbenzyl alcohol is occasionally used in perfume compositions for its natural and warm-herbaceous-spicy effect, perceptible in the topnote and often through the dryout. Also used in the artistic duplication of certain floral notes, such as Mimosa and Cassie, particularly in connection with Methylionones. Finds some use in flavor compositions, mainly Berry, Fruit, Spice and Liquor flavors. The concentration in the finished product will normally be about 0.5 to 35 ppm.

一般的な説明4-Isopropylbenzyl alcohol has mosquito repellent properties and has been isolated from Eucalyptus camaldulensis. Oxidation of 4-isopropylbenzyl alcohol over TiO2-supported nano gold catalyst has been investigated.

調製方法

製造方法From cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst, or by catalytic reduction of methyl p-isopropylbenzoate

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

補足説明

定義Found in caraway seed.

関連反応

15 件

関連ノート

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