Cas no 74082-06-7 (Butanoic acid,2-ethyl-, 2-methylpropyl ester)
74082-06-7 structure
Product Name:Butanoic acid,2-ethyl-, 2-methylpropyl ester
CAS No:74082-06-7
MF:C10H20O2
MW:172.264603614807
CID:567754
PubChem ID:95554
Update Time:2025-04-19
Butanoic acid,2-ethyl-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-ethyl-, 2-methylpropyl ester
- 2-methylpropyl 2-ethylbutanoate
- isobutyl 2-ethylbutyrate
- 2-Ethylbutyric acid, isobutyl ester
- Isobutyl 2-ethylbutanoate
- NSC 20011
- NS00037591
- SCHEMBL6894886
- UNII-6FKX2ZYF3J
- Butanoic acid, 2-ethyl-, 2-methylpropyl ester
- 74082-06-7
- 6FKX2ZYF3J
- EINECS 277-707-8
- InChI=1/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3
- SAWRJLRKAZYKPM-UHFFFAOYSA-
- Q63399498
- AKOS006239761
- SAWRJLRKAZYKPM-UHFFFAOYSA-N
- DTXSID4073629
- NSC20011
- Isobutyl 2-ethylbutanoate #
- NSC-20011
-
- Inchi: 1S/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3
- InChI Key: SAWRJLRKAZYKPM-UHFFFAOYSA-N
- SMILES: O(CC(C)C)C(C(CC)CC)=O
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 126
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.87
- Boiling Point: 185°C at 760 mmHg
- Flash Point: 65.2°C
- Refractive Index: 1.42
- PSA: 26.3
Butanoic acid,2-ethyl-, 2-methylpropyl ester Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
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
74082-06-7 (Butanoic acid,2-ethyl-, 2-methylpropyl ester) Related Products
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