Cas no 5468-79-1 (1,3-Propanediol,2-heptyl-)
1,3-Propanediol,2-heptyl- structure
Product Name:1,3-Propanediol,2-heptyl-
CAS No:5468-79-1
MF:C10H22O2
MW:174.280483722687
CID:385818
PubChem ID:225556
Update Time:2025-04-19
1,3-Propanediol,2-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-heptyl-
- 2-heptylpropane-1,3-diol
- 2-heptyl-1,3-propanediol
- 2-Heptyl-propan-1,3-diol
- 2-heptyl-propane-1,3-diol
- 2-Hydroxymethyl-nonanol-(1)
- 2-n-Heptylpropan-1,3-diol
- AC1L5E4F
- AC1Q7BLB
- AG-J-09851
- AR-1E2020
- CTK5A2281
- NSC15105
- AKRNPYKLZFDTPP-UHFFFAOYSA-N
- DTXSID10280018
- AKOS018005441
- 2-n-heptylpropane-1,3-diol
- 5468-79-1
- 2-hydroxymethylnonan-1-ol
- NSC-15105
- SCHEMBL4598071
- NSC 15105
-
- Inchi： 1S/C10H22O2/c1-2-3-4-5-6-7-10(8-11)9-12/h10-12H,2-9H2,1H3
- InChI Key： AKRNPYKLZFDTPP-UHFFFAOYSA-N
- SMILES： OCC(CO)CCCCCCC
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: 8
- Complexity: 79.9
- 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: 2.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.922
- Boiling Point: 283.8°Cat760mmHg
- Flash Point: 128.3°C
- Refractive Index: 1.456
- PSA: 40.46
- LogP: 1.94770
1,3-Propanediol,2-heptyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
5468-79-1 (1,3-Propanediol,2-heptyl-) 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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