Cas no 93815-66-8 (Tetradecanoic acid,2-hydroxy-2-propyl-)
93815-66-8 structure
Product Name:Tetradecanoic acid,2-hydroxy-2-propyl-
CAS No:93815-66-8
MF:C17H34O3
MW:286.45006608963
CID:813052
PubChem ID:302598
Update Time:2025-04-19
Tetradecanoic acid,2-hydroxy-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,2-hydroxy-2-propyl-
- 2-hydroxy-2-propyltetradecanoic acid
- DTXSID20307144
- NSC189702
- 93815-66-8
- NSC-189702
-
- Inchi： 1S/C17H34O3/c1-3-5-6-7-8-9-10-11-12-13-15-17(20,14-4-2)16(18)19/h20H,3-15H2,1-2H3,(H,18,19)
- InChI Key： LFSUABRUFUUOSM-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CCC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 286.251
- Monoisotopic Mass: 286.251
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 0.95
- Boiling Point: 414.4°C at 760 mmHg
- Flash Point: 218.6°C
- Refractive Index: 1.468
- PSA: 57.53000
- LogP: 4.91320
Tetradecanoic acid,2-hydroxy-2-propyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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