名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据相关文献专业数据库参考参考资料相关产品

2,3-二甲基琥珀酸 | 13545-04-5

中文名称： 2,3-二甲基琥珀酸

英文名称： 2,3-Dimethylsuccinic Acid

CAS No.： 13545-04-5

分子式： C₆H₁₀O₄

分子量： 146.1412

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：2,3-二甲基琥珀酸结构式

MSDS： 2,3-二甲基琥珀酸MSDS

PubChem CID： 11848

价格行情： 2,3-二甲基琥珀酸价格

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2,3-二甲基琥珀酸的其他展现形式

相关化合物

己二酸异丁酯

Diisobutyl adipate

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环己烷甲酸

Cyclohexanecarboxylic acid

CAS No.：98-89-5
癸二酸二异辛酯

Diisooctyl sebacate

CAS No.：122-62-3
丙戊酸

2-Propylpentanoic acid

CAS No.：99-66-1
2-甲基戊酸

2-Methylpentanoic acid

CAS No.：97-61-0
2-甲基丁酸

2-Methylbutanoic acid

CAS No.：116-53-0

名称和标识符

MDL	MFCD00002657
InChIKey	KLZYRCVPDWTZLH-UHFFFAOYSA-N
Inchi	InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
SMILES	CC(C(C)C(=O)O)C(=O)O

别名信息

- 中文别名 -

2-(1-甲基乙基)-4-噻唑羧醛
2,3-二甲基丁二酸
2,3二甲基琥珀酸
2,3-二甲基琥珀酸

- 英文别名 -

2,3-dimethyl succinic acid
Butanedioic acid,2,3-dimethyl-
2,2'-dimethylsuccinic acid
2,3-Butanedicarboxylic acid
2,3-Dimethyl-Butanedioic Acid

2,3-dimethylsuccinimid acid
meso-2,3-dimethylsuccinic acid
Succinic acid,2,3-dimethyl
2,3-Dimethylbutanedioic acid
Succinic acid, 2,3-dimethyl-
alpha,beta-Dimethylsuccinic acid
ALPHA,ALPHA'-DIMETHYLSUCCINIC ACID
2,3-Dimethylsuccinic acid, mixture of DL and meso
2,3-DIMETHYLSUCCINIC ACID
Butanedioic acid, 2,3-dimethyl-
2,3-Dimethylsuccinic acid >=99%
2,3-Dimethylsuccinic acid,99%,mixture of DL and meso
EINECS 236-915-9
Butanedioic acid,3-dimethyl-
Butanedioic acid,3-dimethyl-
AKOS006223731
AKOS006223731
F3732904-C1E2-4B5F-BB1B-954B2582E062
F3732904-C1E2-4B5F-BB1B-954B2582E062
Butanedioic acid,3-dimethyl-, (R*,S*)-
Butanedioic acid,3-dimethyl-, (R*,S*)-
(-)-2,3-Dimethylsuccinic acid
(-)-2,3-Dimethylsuccinic acid
DTXSID40871958
DTXSID40871958
EINECS 210-163-1
EINECS 210-163-1
57694-62-9
57694-62-9
(-)-2,3-Dimethylbutanedioic acid
(-)-2,3-Dimethylbutanedioic acid
608-39-9
608-39-9
NSC41215
NSC41215
NSC 41215
NSC 41215
InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10
InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10
13545-04-5
13545-04-5
2,3-Dimethylsuccinic acid, >=99%
2,3-Dimethylsuccinic acid, >=99%
NS00043621
NS00043621
EN300-85056
Z1205493640
EN300-85056
Racemic-2,3-dimethyl-butanedioic acid
Z1205493640
(R*,S*)-2,3-Dimethylsuccinic acid
Racemic-2,3-dimethyl-butanedioic acid
SB47808
(R*,S*)-2,3-Dimethylsuccinic acid
NSC-41215
.alpha.,.beta.-Dimethylsuccinic acid
SB47808
CHEBI:167506
NSC-41215
FT-0716862
2,3-DIMETHYLSUCCINICACID
.alpha.,.beta.-Dimethylsuccinic acid
meso-2,3-Dimethyl-butanedioic acid
CHEBI:167506
NSC400523
FT-0716862
2,3-DIMETHYLSUCCINICACID
2,3-dimethylbutanedioic acid
meso-2,3-Dimethyl-butanedioic acid
erythro-2,3-Dimethylsuccinic acid
NSC400523
Butanedioic acid,3-dimethyl-, [R-(R*,S*)]-
NSC-400523
2,3-dimethylbutanedioic acid
CS-0217793
erythro-2,3-Dimethylsuccinic acid
BB 0262731
Butanedioic acid,3-dimethyl-, [R-(R*,S*)]-
Succinic acid,3-dimethyl-, meso-
NSC-400523
F83083
CS-0217793
2,3-Dimethylsuccinic acid
BB 0262731
SCHEMBL83830
Succinic acid,3-dimethyl-, meso-
Succinic acid,3-dimethyl-, erythro-meso-
F83083
FT-0632534
2,3-Dimethylsuccinic acid
SCHEMBL83830
Polymaleic Acid (Aqueous Solution)
Succinic acid,3-dimethyl-, erythro-meso-
NSC 400523
FT-0632534
Polymaleic Acid (Aqueous Solution)
J-006701
NSC 400523
Succinic acid,3-dimethyl-
J-006701
Succinic acid,3-dimethyl-
(2r,3r)-2,3-dimethylsuccinic acid
(2r,3r)-2,3-dimethylsuccinic acid

物化性质

实验特性

LogP	0.42780
PSA	74.60000
折射率	1.4328 (estimate)
沸点	311.39°C (rough estimate)
熔点	118-122 °C
闪点	114.4°C
颜色与性状	无可用
溶解性	无可用
密度	1.4528 (rough estimate)

计算特性

精确分子量	146.05800
氢键供体数量	2
氢键受体数量	4
可旋转化学键数量	3
同位素质量	146.058
重原子数量	10
复杂度	134
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	2
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）	0.4
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	74.6A^2

安全信息

符号：	GHS07
WGK Germany	3
安全术语	S24/25
安全说明	26-37/39
风险术语	R36/37/38
危险品标志	Xi
危险品运输编号	NONH for all modes of transport
危害声明	H315-H319-H335
警示性声明	P261-P305+P351+P338
危险类别码	36/37/38
信号词	Warning

国际标准相关数据

EINECS	236-915-9

海关数据

海关编码	2917190090
海关数据	中国海关编码： 2917190090 概述： 2917190090 其他无环多元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0% 申报要素：品名, 成分含量, 用途, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分 Summary： 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

海关编码

2917190090

海关数据

中国海关编码：

2917190090

概述：

2917190090 其他无环多元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分

Summary：

2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

相关文献

1. The role of alkoxy radicals in the heterogeneous reaction of two structural isomers of dimethylsuccinic acid
Chiu Tung Cheng,Man Nin Chan,Kevin R. Wilson Phys. Chem. Chem. Phys. 2015 17 25309
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Andrei A. Vasil’ev,Lars Engman,Edward P. Serebryakov J. Chem. Soc. Perkin Trans. 1 2000 2211
3. The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C4-dicarboxylate linkers
Jannick Jacobsen,Bastian Achenbach,Helge Reinsch,Simon Smolders,Florian-David Lange,Gernot Friedrichs,Dirk De Vos,Norbert Stock Dalton Trans. 2019 48 8433
4. Double asymmetric hydrogenation of conjugated dienes catalysed by ruthenium binap complexes
Hitoshi Muramatsu,Hiroyuki Kawano,Youichi Ishii,Masahiko Saburi,Yasuzo Uchida J. Chem. Soc. Chem. Commun. 1989 769
5. Synthesis of β-nitro ketones from geminal bromonitroalkanes and silyl enol ethers by visible light photoredox catalysis
Haoying Cao,Shanshan Ma,Yanhong Feng,Yawen Guo,Peng Jiao Chem. Commun. 2022 58 1780
6. Biosynthesis of the angiogenesis inhibitor borrelidin: directed biosynthesis of novel analogues
Steven J. Moss,Isabelle Carletti,Carlos Olano,Rose M. Sheridan,Michael Ward,Vidya Math,Mohammad Nur-E-Alam,Alfredo F. Bra?a,Ming Qiang Zhang,Peter F. Leadlay,Carmen Méndez,José A. Salas,Barrie Wilkinson Chem. Commun. 2006 2341
7. Selenium modulates cadmium-induced ultrastructural and metabolic changes in cucumber seedlings
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8. Synthesis of 24-methyl sterols stereospecifically labelled with 2H in the isopropyl methyl groups. 13C NMR spectral assignment of C-26 and C-27 resonances
Diego Colombo,Fiamma Ronchetti,Giovanni Russo,Lucio Toma J. Chem. Soc. Chem. Commun. 1990 263
9. Experimental and computational evidence for α-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate
Necmettin Pirin??io?lu,James J. Robinson,Mary F. Mahon,J. Grant Buchanan,Ian H. Williams Org. Biomol. Chem. 2007 5 4001
10. NMR conformational study of the neutralisation of meso- and rac-2,3-dimethyl- and 2,3-diethylsuccinic acids in aqueous solution
Hartmut Komber J. Chem. Soc. Perkin Trans. 2 1995 1923

专业数据库参考

PubChemId	11848

参考资料

Beilstein	1723932

2,3-二甲基琥珀酸 | 13545-04-5

中国海关编码：

概述：

申报要素：

Summary：

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