Cas no 71648-27-6 (Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester)
71648-27-6 structure
Product Name:Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester
CAS No:71648-27-6
MF:C12H24O2
MW:200.317764282227
CID:574699
PubChem ID:545312
Update Time:2025-04-19
Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester
- tert-butyl 2-ethylhexanoate
- 2-methylpropyl 2-ethylhexanoate
- DTXSID70992221
- AKOS013211247
- EINECS 275-755-4
- Hexanoic acid, 2-ethyl-, 1,1-dimethylethyl ester
- SCHEMBL525646
- 71648-27-6
- t-Butyl 2-ethylhexanoate
- tert-Butyl 2-ethylhexanoate #
-
- Inchi： 1S/C12H24O2/c1-6-8-9-10(7-2)11(13)14-12(3,4)5/h10H,6-9H2,1-5H3
- InChI Key： UWNNZXDNLPNGQJ-UHFFFAOYSA-N
- SMILES： O(C(C(CC)CCCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 168
- 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: 4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.868
- Boiling Point: 211.8°C at 760 mmHg
- Flash Point: 83.6°C
- Refractive Index: 1.428
- PSA: 26.3
Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester Related Literature
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1. 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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
71648-27-6 (Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester) Related Products
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