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化合物简介
3,5-Dihydroxybenzoic acid (α-resorcylic acid) is a dihydroxybenzoic acid. It is a metabolite of alkylresorcinols, first identified in human urine and can be quantified in urine and plasma, and may be an alternative, equivalent biomarker of whole grain wheat intake.
基本信息
CAS:99-10-5
中文别名:Α-雷锁辛甲酸;3,5-二羟苯甲酸;α-雷琐辛甲酸;α-雷琐酸;
英文别名:3,5-dihydroxybenzoate;resorcinol-5-carboxylic acid;3,5-Dihydroxybenzoesure;A-RESORCYLIC ACID;3,5-Dihydroxybenzoic acid;Benzoic acid, 3,5-dihydroxy-;5-carboxyresorcinol;3,5-Dihydroxybenzoic;
分子式:C7H6O4
分子量:154.12
精确质量:154.027
Psa:77.76
Logp:0.796
中文别名:Α-雷锁辛甲酸;3,5-二羟苯甲酸;α-雷琐辛甲酸;α-雷琐酸;
英文别名:3,5-dihydroxybenzoate;resorcinol-5-carboxylic acid;3,5-Dihydroxybenzoesure;A-RESORCYLIC ACID;3,5-Dihydroxybenzoic acid;Benzoic acid, 3,5-dihydroxy-;5-carboxyresorcinol;3,5-Dihydroxybenzoic;
分子式:C7H6O4
分子量:154.12
精确质量:154.027
Psa:77.76
Logp:0.796
编号系统
MDL号:MFCD00002512
EINECS号:202-730-7
EINECS号:202-730-7
物化性质
外观与性状:白色至灰白色结晶粉末
密度:1.559 g/cm3
沸点:411.5ºC at 760 mmHg
熔点:236-238°C (dec.)(lit.)
闪点:200°C
水溶解性:84 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.559 g/cm3
沸点:411.5ºC at 760 mmHg
熔点:236-238°C (dec.)(lit.)
闪点:200°C
水溶解性:84 g/L (20 ºC)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
安全信息
RTECS号:VH3708000
安全说明:S26-S36-S37/39
WGK Germany:1
危险类别码:R36/37/38
海关编码:29182990
包装等级:III
危险品标志:Xi
安全说明:S26-S36-S37/39
WGK Germany:1
危险类别码:R36/37/38
海关编码:29182990
包装等级:III
危险品标志:Xi
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in DMSO-d6

1H NMR : 90 MHz in DMSO-d6

Mass

IR : KBr disc
