Cas no 81115-67-5 ((S)-(S)-2-Methylbutyl 2-methylbutanoate)
81115-67-5 structure
Product Name:(S)-(S)-2-Methylbutyl 2-methylbutanoate
CAS No:81115-67-5
MF:C10H20O2
MW:172.264603614807
CID:60299
PubChem ID:12867342
Update Time:2025-04-18
(S)-(S)-2-Methylbutyl 2-methylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- (S)-(S)-2-Methylbutyl 2-methylbutanoate
- [S-(R*,R*)]-2-Methylbutanoic acid 2-methylbutyl ester
- 81115-67-5
- [(2S)-2-methylbutyl] (2S)-2-methylbutanoate
-
- Inchi： 1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
- InChI Key： PVYFCGRBIREQLL-IUCAKERBSA-N
- SMILES： O(C([C@@H](C)CC)=O)C[C@@H](C)CC
Computed Properties
- Exact Mass: 172.146
- Monoisotopic Mass: 172.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3.2
Experimental Properties
- Density: 0.870
- Boiling Point: 185 oC
- Flash Point: 65 oC
- Refractive Index: 1.4200
- FEMA: 3359
(S)-(S)-2-Methylbutyl 2-methylbutanoate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
81115-67-5 ((S)-(S)-2-Methylbutyl 2-methylbutanoate) 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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