Cas no 21398-43-6 (1,3-Propanediol,2-hexyl-)
1,3-Propanediol,2-hexyl- structure
Product Name:1,3-Propanediol,2-hexyl-
CAS No:21398-43-6
MF:C9H20O2
MW:160.253903388977
CID:288396
PubChem ID:268484
Update Time:2025-04-19
1,3-Propanediol,2-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-hexyl-
- 2-hexyl-1,3-Propanediol
- 2-hexylpropane-1,3-diol
- 2-hexyl-1,3-propane-diol
- 2-hexyl-propane-1,3-diol
- 2-n-hexylpropan-1,3-diol
- 2-n-Hexyl-propan-1,3-diol
- AC1L6KD4
- AC1Q7BL9
- AG-K-95877
- AR-1E2080
- CTK4E6654
- Bis(hydroxymethyl)heptane
- Dimethylolheptane
- NSC 108722
- SCHEMBL79863
- AKOS018004891
- FT-0759032
- PJJDIUDNTBMCHO-UHFFFAOYSA-N
- 21398-43-6
- NSC-108722
- DTXSID90296298
- NSC108722
-
- Inchi： 1S/C9H20O2/c1-2-3-4-5-6-9(7-10)8-11/h9-11H,2-8H2,1H3
- InChI Key： PJJDIUDNTBMCHO-UHFFFAOYSA-N
- SMILES： OCC(CO)CCCCCC
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 70
- 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: 40.5A^2
- XLogP3: 2.2
Experimental Properties
- Density: 0.929
- Boiling Point: 270 oC
- Flash Point: 123 oC
- Refractive Index: 1.454
- PSA: 40.46
- LogP: 1.55760
1,3-Propanediol,2-hexyl- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
21398-43-6 (1,3-Propanediol,2-hexyl-) Related Products
- 104-76-7(2-Ethyl-1-hexanol)
- 25462-23-1(2-N-Pentylpropane-1,3-diol)
- 5333-42-6(2-Octyldodecane-1-ol)
- 19780-79-1(2-Hexyl-1-octanol)
- 106868-09-1(2,2-Di-N-octyl-1,3-propanediol)
- 2612-28-4(2-Propylpropane-1,3-diol)
- 10547-96-3(2,2-Dihydroxy-2,2-diisobutylpropane)
- 2425-77-6(2-Hexyl-1-decanol)
- 10042-59-8(2-Propylheptanol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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