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邻甲基水杨酸 | 83-40-9

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中文名称:邻甲基水杨酸
英文名称:3-Methylsalicylic acid
CAS No.:83-40-9 分子式:C8H8O3 分子量:152.1473
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:邻甲基水杨酸结构式
MSDS:邻甲基水杨酸msds 价格行情:邻甲基水杨酸价格 PubChem CID:87565535
国内供应商
邻甲基水杨酸的其他展现形式
  • 相关化合物
一水2,4,6-三羟基苯甲酸 2,4,6-Trihydroxybenzoic acid CAS No.:83-30-7
水杨酸 2-Hydroxybenzoic acid CAS No.:69-72-7
5-甲基水杨酸 5-Methylsalicylic acid CAS No.:89-56-5
2-萘酚-3-甲酸 3-Hydroxy-2-naphthoic acid CAS No.:92-70-6
2,4-二羟基苯甲酸 2,4-Dihydroxybenzoic acid CAS No.:89-86-1
1-萘酚-2-甲酸 1-Hydroxy-2-naphthoic acid CAS No.:86-48-6
简介
3-Methylsalicylic acid是一种水杨酸衍生物, 作用于人血浆, 通过激活纤维蛋白溶解系统, 而具有显著的纤溶活性。
名称和标识符
MDL MFCD00002448
InChIKey WHSXTWFYRGOBGO-UHFFFAOYSA-N
Inchi 1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
SMILES O([H])C1C(C(=O)O[H])=C([H])C([H])=C([H])C=1C([H])([H])[H]
BRN 2086811
别名信息
- 中文别名 -
邻甲基水杨酸 2-羟基-3-甲基苯甲酸 3-甲基水杨酸 3-甲基-2-羟基苯甲酸 3-甲基邻羟基苯甲酸 3-Methylsalicylic Acid 3-甲基水杨酸 甲酚酸 3-甲基柳酸 2-羟基间甲苯甲酸
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- 英文别名 -
3-Methylsalicylic acid 2-Hydroxy-3-methylbenzoic acid o-Cresotic acid 2-hydroxy-m-toluic acid Cresotic acid o-Kresotinic Acid 3-Methyl Salicylic A 2-ANISIC ACID 2-carboxy-6-methylphenol 3-MS cresotinicacid Hydroxytoluic Hydroxytoluic acid o-cresotinic o-Cresotinic acid Benzoic acid, 2-hydroxy-3-methyl- o-Homosalicylic acid 2,3-Cresotic acid 2,3-Cresotinic acid Cresotinic acid Homosalicylic acid 3-Methyl-2-hydroxybenzoic acid Hydroxytoluylsaeure 3-cresotinic acid 3-Methylsalicylsaeure Acido hidroxitoluico 2-Hydroxy-3-methyl-benzoic acid Acido ortocresotinico Acide hydroxytoluique Acidum hydroxitoluicum Aci DTXCID7018686 KBio3_001594 83-40-9 3-methyl salicylic acid CCG-38951 NSC 17561 2-hydroxy-3-methyl benzoic acid Acide hydroxytoluique [INN-French] Q27109285 beta-cresotinate Acido 3-ossi-5-metil-benzoico BDBM50275341 bmse000620 CHEMBL448399 SpecPlus_000905 NCGC00095792-03 Acido hidroxitoluico [INN-Spanish] SCHEMBL25756 2,3-cresotate Acido 3-ossi-5-metil-benzoico [Italian] NSC755829 AM20060736 3-methyl-salicylic acid MLS002207190 MFCD00002448 KBio2_000917 2-hydroxy-3-methyl-benzoate beta-Cresotinic acid KBio1_001945 3-methyl-2-hydroxybenzoate BSPBio_002374 3-Methylsalicylate O-CRESOTIC ACID [MI] .beta.-Cresotinic acid 3 MS KBioSS_000917 SPBio_000282 D70635 3-Metylsalicylic acid NSC-1772 2,3-cresotinate W-104146 BRD-K75608666-001-03-4 Oprea1_525952 HY-B1399 3-Cresotinate KBio2_006053 NSC-17561 Cresotic acid, o- FS-3191 3-Methylsalicylic acid, 97% DTXSID9038686 Tox21_111523_1 NSC50796 HMS3264E18 Acidum hydroxytoluicum [INN-Latin] 3-Methylsalycilic acid InChI=1/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11 AKOS000119923 KBio2_003485 2-Hydorxy-3-Methylbenzoic Acid EN300-17315 NSC-50796 Spectrum4_000789 HYDROXYTOLUIC ACID [WHO-DD] NSC1772 UNII-ZH3HEY032H 2-Hydroxy-3-methylbenzoicacid NCGC00095792-02 Spectrum_000437 Acidum hydroxytoluicum SR-01000872738-1 SMR000112084 CHEBI:20141 AC-7749 CAS-83-40-9 AI3-15025 Acido ortocresotinico [Italian] NSC17561 EINECS 201-473-8 2-Hydroxy-m-toluic acid SR-01000872738 Hydroxytoluic acid [BAN:INN] SPECTRUM212064 DivK1c_007001 BRN 2086811 STK426344 Spectrum2_000151 NCGC00095792-01 KBioGR_001238 FT-0616181 ZH3HEY032H BRD-K75608666-001-02-6 Hydroxytoluic acid [INN:BAN] Spectrum5_000741 SBI-0052675.P002 4-10-00-00601 (Beilstein Handbook Reference) Spectrum3_000757 LS-55452 hydroxytoluic-acid 2-hydroxy-m-toluate 3-methylsalicyclic acid Z56917421 o-Kresotinsaure BBL023681 NSC-755829 SY014329 CS-4909 Pharmakon1600-00212064 Tox21_111523 O-CRESOTIC ACID HYDROXYTOLUIC ACID [INN] 2-hydroxy-3-methylbenzoate hydroxytoluylsyre- AB00053143_02 o-Cresotic Acid 2-Hydroxy-3-methylbenzoic Acid 2-Hydroxy-m-toluic Acid
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物化性质
 实验特性
LogP 1.39880
PSA 57.53000
Merck 2581
折射率 1.4945 (estimate)
水溶性 1.5 g/L (20 ºC)
沸点 234.6°C (rough estimate)
熔点 165.0 to 169.0 deg-C
闪点 145.4ºC
溶解度 methanol: soluble5%, clear to slightly hazy (colorlessto faint brown)
颜色与性状 白色或微红色结晶状粉末。
PH值 2.8 (1.5g/l, H2O, 20℃)
溶解性 易溶于热水,能溶于醇、醚、氯仿及****溶液,微溶于冷水
密度 1.2143 (rough estimate)
 计算特性
精确分子量 152.04700
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 1
同位素质量 152.047
重原子数量 11
复杂度 155
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) 2.9
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 57.5
国际标准相关数据
EINECS 201-473-8
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%

相关文献

1. Solution and calorimetric thermodynamic study of a new 1?:?1 sulfamethazine–3-methylsalicylic acid co-crystal
Dipali Ahuja,Michael Sv?rd,Matteo Lusi,?ke C. Rasmuson CrystEngComm 2020 22 3463

2. Spectrophotometric determination of the dissociation constants of some substituted salicylic acids. Part 2
Z. L. Ernst,J. Menashi Trans. Faraday Soc. 1963 59 1803

3. Spectrophotometric determination of the dissociation constants of some substituted salicylic acids. Part 2
Z. L. Ernst,J. Menashi Trans. Faraday Soc. 1963 59 1803

4. Hydrophilic oxygen radical absorbance capacity values of low-molecular-weight phenolic compounds containing carbon, hydrogen, and oxygen
Shuhei Sakurai,Akito Kikuchi,Hiroaki Gotoh RSC Adv. 2022 12 4094

5. Approaches to the synthesis of 4-hydroxypiloquinone
Robin G. F. Giles,Peter R. K. Mitchell,Melvyn V. Sargent J. Chem. Soc. Perkin Trans. 1 1983 2147

6. Complex formation between iron(III) and some substituted salicylic acids
M. V. Park J. Chem. Soc. A 1966 816

7. 43. Eight- and higher-membered ring compounds. Part III. Di-, tri-, and tetra-cresotides
Wilson Baker,B. Gilbert,W. D. Ollis,T. S. Zealley J. Chem. Soc. 1951 209

8. Small heterocycles as highly luminescent building blocks in the solid state for organic synthesis
Fabiano da Silveira Santos,Natália Goedtel Medeiros,Ricardo Ferreira Affeldt,Rodrigo da Costa Duarte,Sidnei Moura,Fabiano Severo Rodembusch New J. Chem. 2016 40 2785

9. Bulk liquid membrane transport of ferrioxamine B by neutral and ionizable carriers
Ivan Spasojevi?,Alvin L. Crumbliss J. Chem. Soc. Dalton Trans. 1998 4021

10. XXIII.—Derivatives of gallic acid. Part II. Gallic acid (and the cresotic acids) and chloral
Rupchand Lilaram Alimchandani,Andrew Norman Meldrum J. Chem. Soc. Trans. 1921 119 201

专业数据库参考
PubChemId 87565535
参考资料
Reaxys RN 2086811
Beilstein 10,220
产品用途
用作有机合成和染料中间体
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