Cas no 25462-46-8 (1,3-Propanediol,2-methyl-2-pentyl-)
25462-46-8 structure
Product Name:1,3-Propanediol,2-methyl-2-pentyl-
CAS No:25462-46-8
MF:C9H20O2
MW:160.253903388977
CID:272330
PubChem ID:117514
Update Time:2025-04-19
1,3-Propanediol,2-methyl-2-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-methyl-2-pentyl-
- 2-methyl-2-pentylpropane-1,3-diol
- 3-01-00-02228 (Beilstein Handbook Reference)
- AKOS018005547
- 1,3-Propanediol, 2-methyl-2-pentyl-
- 25462-46-8
- 2-Methyl-2-pentyl-1,3-propanediol
- DTXSID50180144
- BRN 1737105
- SCHEMBL3276639
-
- Inchi： 1S/C9H20O2/c1-3-4-5-6-9(2,7-10)8-11/h10-11H,3-8H2,1-2H3
- InChI Key： PHWNWYMCWKIFAK-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)CCCCC
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: 6
- Complexity: 87.6
- 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: 40.5
- XLogP3: 2
Experimental Properties
- Density: 0.93
- Boiling Point: 252.9°C at 760 mmHg
- Flash Point: 112.1°C
- Refractive Index: 1.455
- PSA: 40.46
1,3-Propanediol,2-methyl-2-pentyl- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
25462-46-8 (1,3-Propanediol,2-methyl-2-pentyl-) Related Products
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