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化合物简介
Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. α-Phellandrene and β-phellandrene are cyclic monoterpenes and are double-bond isomers. In α-phellandrene, both double bonds are endocyclic and in β-phellandrene, one of them is exocyclic. Both are insoluble in water, but miscible with ether.
基本信息
CAS:99-83-2
中文别名:Alpha-水芹烯,天然品;
英文别名:2-methyl-5-isopropylcyclohexa-1,3-diene;ISONICOTINIC ACID,3-THUJYLIDENEHYDRAZIDE;alpha-phellandrene;1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-;5-isopropyl-2-methyl-1,3-cyclohexadiene;5-isopropyl-2-methylcyclohexa-1,3-diene;3-Thujylidenehydrazide of isonicotinic acid;2-Methyl-5-isopropyl-3-isonicotinoylhydrazono-bicyclo[3.1.0]hexan;(3R,5R)-(+)-2,6-DIMETHYL-3,5-HEPTANEDIOL;
分子式:C10H16
分子量:136.234
精确质量:136.125
Psa:0.0
Logp:3.1648
中文别名:Alpha-水芹烯,天然品;
英文别名:2-methyl-5-isopropylcyclohexa-1,3-diene;ISONICOTINIC ACID,3-THUJYLIDENEHYDRAZIDE;alpha-phellandrene;1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-;5-isopropyl-2-methyl-1,3-cyclohexadiene;5-isopropyl-2-methylcyclohexa-1,3-diene;3-Thujylidenehydrazide of isonicotinic acid;2-Methyl-5-isopropyl-3-isonicotinoylhydrazono-bicyclo[3.1.0]hexan;(3R,5R)-(+)-2,6-DIMETHYL-3,5-HEPTANEDIOL;
分子式:C10H16
分子量:136.234
精确质量:136.125
Psa:0.0
Logp:3.1648
编号系统
UNII:49JV13XE39
物化性质
密度:0.85 g/mL at 25ºC(lit.)
沸点:171.5ºC at 760 mmHg
闪点:117 °F
折射率:n20/D 1.474(lit.)
沸点:171.5ºC at 760 mmHg
闪点:117 °F
折射率:n20/D 1.474(lit.)
安全信息
安全说明:S16; S26; S36/37
危险类别码:R10; R22; R36/37/38; R43
危险品运输编码:UN 2319 3
海关编码:2902199090
危险类别:3.2
包装等级:III
危险类别码:R10; R22; R36/37/38; R43
危险品运输编码:UN 2319 3
海关编码:2902199090
危险类别:3.2
包装等级:III
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
