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化合物简介
Safrole, is an oily liquid typically extracted from the root-bark or the fruit of sassafras plants in the form of sassafras oil. It is a precursor in the synthesis of the insecticide synergist piperonyl butoxide and the empathogenic/entactogenic drug MDMA.
基本信息
CAS:94-59-7
中文别名:
英文别名:5-prop-2-enyl-1,3-benzodioxole;Sassafras;Shikimole;4-allyl-1,2-methylenedioxybenzene;1,3-Benzodioxole, 5-(2-propenyl)-;1-allyl-3,4-methylenedioxybenzene;5-Allyl-1,3-benzodioxole;Shikimol;Rhyuno oil;Shikomol;Safrene;Safrol;5-(2-propenyl)1,3-benzodioxole;
分子式:C10H10O2
分子量:162.185
精确质量:162.068
Psa:18.46
Logp:2.1438
中文别名:
英文别名:5-prop-2-enyl-1,3-benzodioxole;Sassafras;Shikimole;4-allyl-1,2-methylenedioxybenzene;1,3-Benzodioxole, 5-(2-propenyl)-;1-allyl-3,4-methylenedioxybenzene;5-Allyl-1,3-benzodioxole;Shikimol;Rhyuno oil;Shikomol;Safrene;Safrol;5-(2-propenyl)1,3-benzodioxole;
分子式:C10H10O2
分子量:162.185
精确质量:162.068
Psa:18.46
Logp:2.1438
编号系统
MDL号:MFCD00005841
物化性质
外观与性状:透明至淡黄色油性液体
密度:1.099g/mLat 20°C
沸点:232-234°C(lit.)
熔点:11.2°C(lit.)
闪点:208°F
折射率:n20/D 1.537(lit.)
水溶解性:不溶
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:1 mm Hg ( 63.8 °C)
密度:1.099g/mLat 20°C
沸点:232-234°C(lit.)
熔点:11.2°C(lit.)
闪点:208°F
折射率:n20/D 1.537(lit.)
水溶解性:不溶
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:1 mm Hg ( 63.8 °C)
安全信息
RTECS号:CY2800000
安全说明:S53-S45
WGK Germany:3
危险类别码:R22; R45; R68
海关编码:2909309090
危险品运输编码:UN 3082 9/PG 3
危险品标志:T
安全说明:S53-S45
WGK Germany:3
危险类别码:R22; R45; R68
海关编码:2909309090
危险品运输编码:UN 3082 9/PG 3
危险品标志:T
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

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass

IR : CCl4 solution

IR : liquid film
