Cas no 54004-42-1 (Butanoic acid, 2,3-dimethyl-, ethyl ester)
54004-42-1 structure
Product Name:Butanoic acid, 2,3-dimethyl-, ethyl ester
CAS No:54004-42-1
MF:C8H16O2
MW:144.211442947388
CID:355871
PubChem ID:521482
Update Time:2025-04-19
Butanoic acid, 2,3-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,3-dimethyl-, ethyl ester
- Ethyl 2,3-dimethylbutanoate
- UOLDHHQOKRYISV-UHFFFAOYSA-N
- FT-0714574
- Ethyl 2,3-dimethylbutanoate #
- DTXSID60334651
- 54004-42-1
- SCHEMBL765721
- 2,3-Dimethylbutanoic acid ethyl ester
- AKOS009159448
-
- MDL： MFCD00101887
- Inchi： 1S/C8H16O2/c1-5-10-8(9)7(4)6(2)3/h6-7H,5H2,1-4H3
- InChI Key： UOLDHHQOKRYISV-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)C(C)C)=O
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 108
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Butanoic acid, 2,3-dimethyl-, ethyl ester Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
54004-42-1 (Butanoic acid, 2,3-dimethyl-, ethyl ester) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 2050-01-3(Isoamyl Isobutyrate)
- 106-27-4(Isopentyl butyrate)
- 4606-07-9(Ethyl Cyclopropylcarboxylate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 539-90-2(isobutyl butyrate)
- 557-00-6(propyl isovalerate)
- 94-28-0(Tri(ethylenglycol)bis-2-ethylhexanoate)
- 589-59-3(isobutyl isovalerate)
- 97-87-0(butyl isobutyrate)
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