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化合物简介
Pentyl pentanoate (C4H9COOC5H11) is an ester used in dilute solution to replicate the scent or flavour of apple, and sometimes pineapple. It is referred to as pentyl valerate or amyl pentanoate using classical nomenclature. it can be used for a variety of chemical uses, such as in the production of flavoured products, like sweets.
基本信息
CAS:2173-56-0
中文别名:戊酸戊酯;
英文别名:Pentyl valerate;Pentanoic Acid Pentyl Ester;Valeric acid,pentyl ester;Amyl Pentanoate;Pentyl Valerate;amyl valerate;n-Pentyl pentanoate;Valeric Acid Pentyl Ester;Pentanoic acid,pentyl ester;n-Pentyl valerate;Pentyl Pentanoate;1-Pentyl n-valerate;n-pentyl n-pentanoate;Pentanoic acid, pentyl ester;n-pentyl pantanoate;Amyl Valerate;Amyl valerianate;
分子式:C10H20O2
分子量:172.265
精确质量:172.146
Psa:26.3
Logp:2.91
中文别名:戊酸戊酯;
英文别名:Pentyl valerate;Pentanoic Acid Pentyl Ester;Valeric acid,pentyl ester;Amyl Pentanoate;Pentyl Valerate;amyl valerate;n-Pentyl pentanoate;Valeric Acid Pentyl Ester;Pentanoic acid,pentyl ester;n-Pentyl valerate;Pentyl Pentanoate;1-Pentyl n-valerate;n-pentyl n-pentanoate;Pentanoic acid, pentyl ester;n-pentyl pantanoate;Amyl Valerate;Amyl valerianate;
分子式:C10H20O2
分子量:172.265
精确质量:172.146
Psa:26.3
Logp:2.91
编号系统
BRN号:1754427
EINECS号:218-528-7
RTECS号:SA4250000
PubChem号:24890015
MDL号:MFCD00042904
EINECS号:218-528-7
RTECS号:SA4250000
PubChem号:24890015
MDL号:MFCD00042904
物化性质
密度:0.865g/mLat 20°C(lit.)
沸点:201-203°C(lit.)
闪点:81°C
折射率:n20/D 1.417
蒸汽压:0.233mmHg at 25°C
沸点:201-203°C(lit.)
闪点:81°C
折射率:n20/D 1.417
蒸汽压:0.233mmHg at 25°C
安全信息
RTECS号:SA4250000
安全说明:S23-S24/25
WGK Germany:2
海关编码:2915600000
安全说明:S23-S24/25
WGK Germany:2
海关编码:2915600000
生产方法及用途
用途
用作香料、溶剂,也用于有机合成。
用作香料、溶剂,也用于有机合成。
合成路线
上游原料
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
