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化合物简介
(2E)-2-Hexenoic Acid is used in the synthesis of antitumor dehydroepiandrosteronederivatives. Also used in the synthesis of phosphatase 1B inhibitors.
基本信息
CAS:13419-69-7
中文别名:反-2-己烯酸;反-2-己酸;(E)-2-己烯酸;
英文别名:trans-2-hexenic acid;2-hexenoic acid;FEMA 3169;T2 HEXENOIC ACID;ISOHYDROSORBIC ACID;2-trans-n-hexenoic acid;trans-2-Hexenoic acid;FEMA NUMBER 3169;trans-2-Hexenoic Acid;Z-hexenoic 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:反-2-己烯酸;反-2-己酸;(E)-2-己烯酸;
英文别名:trans-2-hexenic acid;2-hexenoic acid;FEMA 3169;T2 HEXENOIC ACID;ISOHYDROSORBIC ACID;2-trans-n-hexenoic acid;trans-2-Hexenoic acid;FEMA NUMBER 3169;trans-2-Hexenoic Acid;Z-hexenoic 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
PubChem号:24901509
EINECS号:236-528-5
BRN号:1720443
MDL号:MFCD00002705
EINECS号:236-528-5
BRN号:1720443
MDL号:MFCD00002705
物化性质
外观与性状:白色固体
密度:0.965g/mLat 25°C(lit.)
沸点:217°C(lit.)
熔点:33-35°C(lit.)
闪点:>230°F
折射率:n20/D 1.438(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件: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)
密度:0.965g/mLat 25°C(lit.)
沸点:217°C(lit.)
熔点:33-35°C(lit.)
闪点:>230°F
折射率:n20/D 1.438(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件: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)
安全信息
安全说明:S26-S36/37/39-S45-S25
危险类别码:R34
WGK Germany:3
海关编码:2916190090
危险品运输编码:UN 2829 8/PG 3
危险类别:8
包装等级:III
危险品标志:C
危险类别码:R34
WGK Germany:3
海关编码:2916190090
危险品运输编码:UN 2829 8/PG 3
危险类别:8
包装等级:III
危险品标志:C
生产方法及用途
生产方法
1. 烟草:OR,26。
1. 烟草:OR,26。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Raman : 4880 A,200 M,powder

Mass

IR : KBr disc

IR : liquid film
