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化合物简介
基本信息
CAS:1577-18-0
中文别名:(E)-3-己烯酸,反-3-己烯酸;(E)-3-己烯酸;反-3-己烯酸;
英文别名:FEMA 3170;trans-3-Hexenoic;T3 HEXENOIC ACID;trans-Hex-3-eneoic acid;FEMA NUMBER 3170;trans-3-Hexenoic acid;trans-3-Hexenoic Acid;3-trans-hexenoic acid;trans-Hex-3-enoic acid;hex-3-enoic acid;
分子式:C6H10O2
分子量:114.142
精确质量:114.068
Psa:37.3
Logp:1.4273
中文别名:(E)-3-己烯酸,反-3-己烯酸;(E)-3-己烯酸;反-3-己烯酸;
英文别名:FEMA 3170;trans-3-Hexenoic;T3 HEXENOIC ACID;trans-Hex-3-eneoic acid;FEMA NUMBER 3170;trans-3-Hexenoic acid;trans-3-Hexenoic Acid;3-trans-hexenoic acid;trans-Hex-3-enoic acid;hex-3-enoic acid;
分子式:C6H10O2
分子量:114.142
精确质量:114.068
Psa:37.3
Logp:1.4273
编号系统
EINECS号:216-417-8
BRN号:1700862
RTECS号:MP7730000
MDL号:MFCD00002786
PubChem号:24901510
BRN号:1700862
RTECS号:MP7730000
MDL号:MFCD00002786
PubChem号:24901510
物化性质
外观与性状:无色-淡黄色液体乙酸气味
密度:0.963g/mLat 25°C(lit.)
沸点:118-119°C22mm Hg(lit.)
熔点:11-12°C(lit.)
闪点:>230°F
折射率:n20/D 1.44(lit.)
水溶解性:SLIGHTLY SOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep container closed when not in use. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽密度:>1 (vs air)
蒸汽压:0.0831mmHg at 25°C
密度:0.963g/mLat 25°C(lit.)
沸点:118-119°C22mm Hg(lit.)
熔点:11-12°C(lit.)
闪点:>230°F
折射率:n20/D 1.44(lit.)
水溶解性:SLIGHTLY SOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep container closed when not in use. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽密度:>1 (vs air)
蒸汽压:0.0831mmHg at 25°C
安全信息
RTECS号:MP7730000
安全说明:S26-S36/37/39-S45-S25-S28-S27
WGK Germany:3
危险类别码:R34
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:III
危险品标志:C
安全说明:S26-S36/37/39-S45-S25-S28-S27
WGK Germany:3
危险类别码:R34
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:III
危险品标志:C
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

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
