617-12-9
617-12-9 结构式
基本信息
中文别名
分支酸合唱酸
分支酸 来源于产气肠杆菌
反式-3-([1-羧基乙烯基]氧)-4-羟基-1,5-环己二烯-1-羧酸
英文别名
Chorismatechorismicaci
CHORISMIC ACID
(-)-Chorismate
CHORISMIC ACID FREE ACID FROM &
chorismic acid from enterobacter aerogenes
ChorisMic acid froM Enterobacter aerogenes >=80%
2-[(3-Carboxy-6β-hydroxy-2,4-cyclohexadiene-1α-yl)oxy]acrylic acid
(3R,4R)-3-((1-carboxyvinyl)oxy)-4-hydroxycyclohexa-1,5-dienecarboxylic acid
(3R)-3β-(1-Carboxyethenyloxy)-4α-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
物理化学性质
熔点105-108° (dec)
比旋光度D21 -274° (c = 0.16 in water)
沸点556.1±50.0 °C(Predicted)
密度1.49±0.1 g/cm3(Predicted)
储存条件-20°C
酸度系数(pKa)3.59±0.11(Predicted)
形态powder
InChI1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyWTFXTQVDAKGDEY-HTQZYQBOSA-N
SMILESO[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
安全数据
危险品标志T
WGK Germany3
存储类别6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
toxic compounds or compounds which causing chronic effects
危险性类别Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3