Cas no 94991-59-0 (Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester)
94991-59-0 structure
Product Name:Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester
CAS No:94991-59-0
MF:C9H18O2
MW:158.238023281097
CID:819584
PubChem ID:185375
Update Time:2025-04-19
Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester
- methyl 3-methyl-2-propan-2-ylbutanoate
- SCHEMBL5512536
- DTXSID90241708
- 94991-59-0
-
- Inchi： 1S/C9H18O2/c1-6(2)8(7(3)4)9(10)11-5/h6-8H,1-5H3
- InChI Key： SSZLGXGUJHOYNA-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 158.13068
- Monoisotopic Mass: 158.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 120
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 2.7
Experimental Properties
- Density: 0.87
- Boiling Point: 154.3°Cat760mmHg
- Flash Point: 47°C
- Refractive Index: 1.413
Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
94991-59-0 (Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester) Related Products
- 39255-32-8(Ethyl 2-methylpentanoate)
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 2177-77-7(Methyl 2-methylvalerate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 868-57-5(DL-2-Methylbutyric Acid Methyl Ester)
- 110238-91-0(methyl oxane-4-carboxylate)
- 32980-26-0(4-Methoxy-3,3-dimethyl-4-oxobutanoic acid)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
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