1571-60-4 (1,2-乙烯二醇,1,2-Ethenediol(7CI,8CI,9CI))

快速询单

结构式：

1,2-乙烯二醇MOL文件

CAS号：

1571-60-4

中文名称：

1,2-乙烯二醇

英文名称：

1,2-Ethenediol(7CI,8CI,9CI)

分子式：

C₂H₄O₂

分子量：

60.0519609451294

1,2-乙烯二醇(1571-60-4)名称与标识符

名称

中文别名：

1,2-乙烯二醇;

英文别名：

1,2-Ethenediol(7CI,8CI,9CI);1,2-Dihydroxyethene;1,2-Ethenediol;Ethen-1,2-diol;1,2-Dihydroxyethylene;1571-60-4;(E)-ethene-1,2-diol;HOCH=CHOH;65144-72-1;

标识符

InChIKey：

JMCRDEBJJPRTPV-OWOJBTEDSA-N

Inchi：

1S/C2H4O2/c3-1-2-4/h1-4H/b2-1+

SMILES：

O/C=C/O

1,2-乙烯二醇(1571-60-4)物化性质

实验特性

PSA : 40.46
折射率 : 1.4220 (589.3 nm 20 ºC)
沸点 : 65-67 ºC
闪点 : 69.2±20.5 ºC,
溶解度 : 易溶 (142 g/L) (25 ºC),
密度 : 1.196±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 60.02112
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 60.021
重原子数量 : 4
复杂度 : 19.2
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 : 1
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） : -0.2
拓扑分子极性表面积 : 40.5A^2

1,2-乙烯二醇(1571-60-4)相关文献

1. Matrix isolation and photorearrangement of cis- and trans-1,2-ethenediol to glycolaldehyde
Artur Mardyukov,Raffael C. Wende,Peter R. Schreiner Chem. Commun. 2023 59 2596
2. Infrared and reflectron time-of-flight mass spectroscopic study on the synthesis of glycolaldehyde in methanol (CH3OH) and methanol–carbon monoxide (CH3OH–CO) ices exposed to ionization radiation
Surajit Maity,Ralf I. Kaiser,Brant M. Jones Faraday Discuss. 2014 168 485
3. Formation of complex organic molecules in methanol and methanol–carbon monoxide ices exposed to ionizing radiation – a combined FTIR and reflectron time-of-flight mass spectrometry study
Surajit Maity,Ralf I. Kaiser,Brant M. Jones Phys. Chem. Chem. Phys. 2015 17 3081
4. Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction
Mattia Melosso,Luca Bizzocchi,Houda Gazzeh,Francesca Tonolo,Jean-Claude Guillemin,Silvia Alessandrini,Víctor M. Rivilla,Luca Dore,Vincenzo Barone,Cristina Puzzarini Chem. Commun. 2022 58 2750
5. On the formation of complex organic molecules in the interstellar medium: untangling the chemical complexity of carbon monoxide–hydrocarbon containing ice analogues exposed to ionizing radiation via a combined infrared and reflectron time-of-flight analysis
Matthew J. Abplanalp,Ralf I. Kaiser Phys. Chem. Chem. Phys. 2019 21 16949
6. Synthesis of (d)-erythrose from glycolaldehyde aqueous solutions under electric field
Giuseppe Cassone,Jiri Sponer,Judit E. Sponer,Fabio Pietrucci,A. Marco Saitta,Franz Saija Chem. Commun. 2018 54 3211
7. Sodium-cationized carbohydrate gas-phase fragmentation chemistry: influence of glycosidic linkage position
Jordan M. Rabus,Maha T. Abutokaikah,Reginald T. Ross,Benjamin J. Bythell Phys. Chem. Chem. Phys. 2017 19 25643
8. Mechanistical study on the formation of hydroxyacetone (CH3COCH2OH), methyl acetate (CH3COOCH3), and 3-hydroxypropanal (HCOCH2CH2OH) along with their enol tautomers (prop-1-ene-1,2-diol (CH3C(OH)CHOH), prop-2-ene-1,2-diol (CH2C(OH)CH2OH), 1-methoxyethen-1-ol (CH3OC(OH)CH2) and prop-1-ene-1,3-diol (HOCH2CHCHOH)) in interstellar ice analogs
Jia Wang,Joshua H. Marks,Andrew M. Turner,Anatoliy A. Nikolayev,Valeriy Azyazov,Alexander M. Mebel,Ralf I. Kaiser Phys. Chem. Chem. Phys. 2023 25 936
9. Mechanistical study on the formation of hydroxyacetone (CH3COCH2OH), methyl acetate (CH3COOCH3), and 3-hydroxypropanal (HCOCH2CH2OH) along with their enol tautomers (prop-1-ene-1,2-diol (CH3C(OH)CHOH), prop-2-ene-1,2-diol (CH2C(OH)CH2OH), 1-methoxyethen-1-ol (CH3OC(OH)CH2) and prop-1-ene-1,3-diol (HOCH2CHCHOH)) in interstellar ice analogs
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10. Theoretical study of the pyrolysis of β-1,4-xylan: a detailed investigation on unimolecular concerted reactions
M. Goussougli,B. Sirjean,P.-A. Glaude,R. Fournet Phys. Chem. Chem. Phys. 2021 23 2605

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