3,5-二羟基苯甲酸甲酯 | 2150-44-9
中文名称:
3,5-二羟基苯甲酸甲酯
英文名称:
Methyl 3,5-dihydroxybenzoate
CAS No.:
2150-44-9
分子式:
C8 H8 O4
分子量:
168.1467
名称和标识符
MDL
MFCD00002289
InChIKey
RNVFYQUEEMZKLR-UHFFFAOYSA-N
Inchi
1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3
SMILES
O(C([H])([H])[H])C(C1C([H])=C(C([H])=C(C=1[H])O[H])O[H])=O
BRN
2091651
别名信息
- 中文别名 -
3,5-二羟基苯甲酸甲酯
3,5--二羟基苯甲酸甲酯
3,5-二羟基苯甲酸甲脂
Methyl 3,5-Dihydroxybenzoate 3,5-二羟基苯甲酸甲酯
雷琐酚-5-羧酸甲酯
- 英文别名 -
Methyl 3,5-dihydroxybenzoate
3,5-Dihydroxybenzoic acid methyl ester
Methyl-3.5-dihydroxybenzoate
1-carbomethoxy-3,5-dihydroxybenzene
3,5-dihydroxy methyl benzoate
Benzoic acid,3,5-dihydroxy-,methyl ester
methyl 3,5-dihydroxy-benzoate
α-Resorcylic Acid Methyl Ester
a-Resorcylic acid, methyl ester(6CI,7CI,8CI)
Methyl a-resorcylate
NSC 61082
a-Resorcinol carboxylic acid methyl ester
Methyl3,5-dihydroxybenzoate
Benzoic acid, 3,5-dihydroxy-, methyl ester
Methyl .alpha.-resorcylate
41U1BRD8AX
alpha-Resorcinol carboxylic acid methyl ester
RNVFYQUEEMZKLR-UHFFFAOYSA-N
alpha-Resorcylic acid, methyl ester
.alpha.-Resorcylic acid, methyl ester
.alpha.-Resorcinol carboxylic acid methyl ester
PubChem21357
Methyl alpha-resor
3,5-Dihydroxybenzoic Acid Methyl Ester
methyl 3,5-dihydroxybenzoate
Benzoic acid,5-dihydroxy-, methyl ester
3,5-Dihydroxy benzoic acid methyl ester
MFCD00002289
SY001681
PS-4371
CS-W019992
methyl (3,5-dihydroxy)benzoate
NS00026883
AN-651/43112578
alpha-Resorcylic Acid Methyl Ester
methyl 3,5dihydroxybenzoate
METHYL-3,5-DIHYDROXYBENZOATE
Methyl 3,5-dihydroxybenzoate, 97%
HY-34580
Methyl 3,5-hydroxybenzoate
F3308-4032
2150-44-9
methyl3,5-dihydroxybenzoate
NSC-61082
AC-14419
methyl 3,5-dihydroxylbenzoate
3, 5-Dihydroxy-benzoic acid methyl ester
AMY30290
UNII-41U1BRD8AX
DTXSID6062208
CHEMBL486218
NSC61082
Methyl alpha-resorcylate
Z104487920
3,5-dihydroxy-benzoic acid methyl ester
SCHEMBL38869
AKOS000120618
3,5-dihydroxy-2-methyl-benzoate
Methyl 3,5-Dihydroxybenzoate
BDBM50428392
EINECS 218-426-2
FT-0614622
EN300-21069
A815428
W-107549
物化性质
实验特性
LogP
0.88440
PSA
66.76000
折射率
1.5090 (estimate)
水溶性
Slightly soluble in water.
沸点
349.4℃ at 760 mmHg
熔点
167-170 °C (lit.)
闪点
147.6℃
颜色与性状
带白色或黄色的粉末
溶解性
未确定
密度
1.3037 (rough estimate)
计算特性
精确分子量
168.04200
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
2
同位素质量
168.042
重原子数量
12
复杂度
158
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.5
互变异构体数量
5
表面电荷
0
拓扑分子极性表面积
66.8
海关数据
海关编码
2918290000
海关数据
中国海关编码:
2918290000
概述:
2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单 B.出境货物通关单
检验检疫类别:
R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
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参考资料
Reaxys RN
2091651
Beilstein
10,405
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