Cas no 25450-96-8 (1,3-Propanediol,2-ethyl-2-(3-methylbutyl)-)
25450-96-8 structure
Product Name:1,3-Propanediol,2-ethyl-2-(3-methylbutyl)-
CAS No:25450-96-8
MF:C10H22O2
MW:174.280483722687
CID:263309
PubChem ID:212993
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-(3-methylbutyl)-
- AKOS018004845
- 2-ethyl-2-(3-methyl-butyl)-propane-1,3-diol
- DTXSID60180115
- 2-Ethyl-2-isopentyl-1,3-propanediol
- BRN 1738104
- 25450-96-8
- SCHEMBL11195867
- 1,3-Propanediol, 2-ethyl-2-isopentyl-
-
- Inchi： 1S/C10H22O2/c1-4-10(7-11,8-12)6-5-9(2)3/h9,11-12H,4-8H2,1-3H3
- InChI Key： NUIKGQMJEKJURJ-UHFFFAOYSA-N
- SMILES： OCC(CO)(CC)CCC(C)C
Computed Properties
- Exact Mass: 174.16206
- Monoisotopic Mass: 174.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.921
- Boiling Point: 254.2°Cat760mmHg
- Flash Point: 109.6°C
- Refractive Index: 1.455
- PSA: 40.46
1,3-Propanediol,2-ethyl-2-(3-methylbutyl)- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
25450-96-8 (1,3-Propanediol,2-ethyl-2-(3-methylbutyl)-) Related Products
- 2612-26-2(2-N-Butylpropane-1,3-diol)
- 25462-23-1(2-N-Pentylpropane-1,3-diol)
- 106868-09-1(2,2-Di-N-octyl-1,3-propanediol)
- 4415-73-0([1-(hydroxymethyl)cyclobutyl]methanol)
- 2612-28-4(2-Propylpropane-1,3-diol)
- 10547-96-3(2,2-Dihydroxy-2,2-diisobutylpropane)
- 77-99-6(Ethyl-2-(hydroxymethyl)-1,3-propanediol)
- 115-76-4(2,2-diethylpropane-1,3-diol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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