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化合物简介
Humulene, also known as α-humulene or α-caryophyllene, is a naturally occurring monocyclic sesquiterpene (C15H24), containing an 11-membered ring and consisting of 3 isoprene units containing three nonconjugated C═C double bonds, two of them being triply substituted and one being doubly substituted. It was first found in the essential oils of Humulus lupulus (hops), from which it derives its name. Humulene is an isomer of β-caryophyllene, and the two are often found together as a mixture in many aromatic plants.
基本信息
CAS:6753-98-6
中文别名:α-Caryophyllene;ALPHA-律草烯;α-石竹烯;α-丁子香烯;α-葎草萜;蛇麻烯;α-丁香汕烃;
英文别名:(1E,4E,8E)-alpha-humulene;1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-;α-CARYOPHYLLENE;
分子式:C15H24
分子量:204.351
精确质量:204.188
Psa:0.0
Logp:5.0354
中文别名:α-Caryophyllene;ALPHA-律草烯;α-石竹烯;α-丁子香烯;α-葎草萜;蛇麻烯;α-丁香汕烃;
英文别名:(1E,4E,8E)-alpha-humulene;1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-;α-CARYOPHYLLENE;
分子式:C15H24
分子量:204.351
精确质量:204.188
Psa:0.0
Logp:5.0354
编号系统
MDL号:MFCD00042689
物化性质
密度:0.889g/mLat 20°C(lit.)
沸点:166-168°C(lit.)
闪点:90°C
折射率:n20/D 1.503(lit.)
储存条件:2-8ºC
沸点:166-168°C(lit.)
闪点:90°C
折射率:n20/D 1.503(lit.)
储存条件:2-8ºC
安全信息
RTECS号:GZ4817500
安全说明:S26; S36
危险类别码:R36/37/38
WGK Germany:3
海关编码:2902199090
危险品标志:Xi
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
安全说明:S26; S36
危险类别码:R36/37/38
WGK Germany:3
海关编码:2902199090
危险品标志:Xi
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
生产方法及用途
生产方法
1. 烟草:BU,14。 防癌作用
用途
防癌作用
1. 烟草:BU,14。 防癌作用
用途
防癌作用
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
