Cas no 25450-89-9 (1,3-Propanediol,2-ethyl-2-(1-methylpropyl)-)
25450-89-9 structure
Product Name:1,3-Propanediol,2-ethyl-2-(1-methylpropyl)-
CAS No:25450-89-9
MF:C9H20O2
MW:160.253903388977
CID:281504
PubChem ID:117239
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-(1-methylpropyl)-
- 2-butan-2-yl-2-ethylpropane-1,3-diol
- 1,3-Propanediol, 2-sec-butyl-2-ethyl-
- 2-(butan-2-yl)-2-ethylpropane-1,3-diol
- 2-sec-Butyl-2-ethyl-1,3-propanediol
- 2-sec-Butyl-2-ethylpropane-1,3-diol
- BRN 1847793
- NS00049836
- SCHEMBL1614870
- 25450-89-9
- EINECS 247-000-9
- DTXSID40948331
-
- Inchi： 1S/C9H20O2/c1-4-8(3)9(5-2,6-10)7-11/h8,10-11H,4-7H2,1-3H3
- InChI Key： FAPQAMNNSKCDTL-UHFFFAOYSA-N
- SMILES： OCC(CO)(CC)C(C)CC
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 97.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 1.7
Experimental Properties
- Density: 0.928
- Boiling Point: 238.5°C at 760 mmHg
- Flash Point: 102.8°C
- Refractive Index: 1.454
- PSA: 40.46
1,3-Propanediol,2-ethyl-2-(1-methylpropyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
25450-89-9 (1,3-Propanediol,2-ethyl-2-(1-methylpropyl)-) Related Products
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