Cas no 25409-20-5 (Hexanoic acid,3-hydroxy-3,5-dimethyl-, ethyl ester)
25409-20-5 structure
Product Name:Hexanoic acid,3-hydroxy-3,5-dimethyl-, ethyl ester
CAS No:25409-20-5
MF:C10H20O3
MW:188.264003753662
CID:289385
PubChem ID:225466
Update Time:2025-04-19
Hexanoic acid,3-hydroxy-3,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,3-hydroxy-3,5-dimethyl-, ethyl ester
- ethyl 3-hydroxy-3,5-dimethylhexanoate
- 3-Hydroxy-3,5-dimethylcapronsaeureethylester
- 3-hydroxy-3,5-dimethyl-hexanoic acid ethyl ester
- 3-Hydroxy-3,5-dimethyl-hexansaeure-aethylester
- AC1L5E1Z
- AC1Q650V
- AR-1I8847
- CTK4F5688
- NSC14876
- AKOS011682096
- 25409-20-5
- DTXSID00279971
- NSC-14876
-
- Inchi： 1S/C10H20O3/c1-5-13-9(11)7-10(4,12)6-8(2)3/h8,12H,5-7H2,1-4H3
- InChI Key： FUYFDLRJEKMUKE-UHFFFAOYSA-N
- SMILES： OC(C)(CC(=O)OCC)CC(C)C
Computed Properties
- Exact Mass: 188.1413
- Monoisotopic Mass: 188.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 166
- 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: 1.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 0.965
- Boiling Point: 265.6°Cat760mmHg
- Flash Point: 101.8°C
- Refractive Index: 1.442
- PSA: 46.53
- LogP: 1.73670
Hexanoic acid,3-hydroxy-3,5-dimethyl-, ethyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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