Cas no 81125-12-4 (1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]-)
![1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/81500/81125-12-4x500.png)
81125-12-4 structure
Product Name:1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]-
CAS No:81125-12-4
MF:C10H22O4
MW:206.279284000397
CID:728176
PubChem ID:3018990
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]-
- 2-ethyl-2-(4-hydroxybutoxymethyl)propane-1,3-diol
- 2-ethyl-2-[(4-hydroxybutoxy)methyl]propane-1,3-diol
- 1,3-PROPANEDIOL, 2-ETHYL-2-((4-HYDROXYBUTOXY)METHYL)-
- 2-Ethyl-2-((4-hydroxybutoxy)methyl)propane-1,3-diol
- 81125-12-4
- EINECS 279-693-9
- XEE5L2WD5V
- UNII-XEE5L2WD5V
- 2-Ethyl-2-((4-hydroxybutoxy)methyl)-1,3-propanediol
- DTXSID001001798
- SCHEMBL8087527
- NS00060551
-
- Inchi： 1S/C10H22O4/c1-2-10(7-12,8-13)9-14-6-4-3-5-11/h11-13H,2-9H2,1H3
- InChI Key： KJRAJWLELDMHJL-UHFFFAOYSA-N
- SMILES： O(CCCCO)CC(CO)(CO)CC
Computed Properties
- Exact Mass: 206.151809
- Monoisotopic Mass: 206.151809
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 123
- 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
- Topological Polar Surface Area: 69.9
- XLogP3: -0.3
Experimental Properties
- Density: 1.071
- Boiling Point: 368.4°C at 760 mmHg
- Flash Point: 176.6°C
- Refractive Index: 1.479
1,3-Propanediol,2-ethyl-2-[(4-hydroxybutoxy)methyl]- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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