Cas no 1730-97-8 (Butanal, 2-methyl-,(2S)-)
Butanal, 2-methyl-,(2S)- structure
Product Name:Butanal, 2-methyl-,(2S)-
Butanal, 2-methyl-,(2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanal, 2-methyl-,(2S)-
- S-2-Methylbutanal
- (2S)-2-Methylbutanal
- (S)-2-Methylbutyraldehyde
- (2S)-2-Methylbutyraldehyde
- [S,(+)]-2-Methylbutyraldehyde
- (S)-2-methylbutanal
- (2S)-2-methylbutyric aldehyde
- BYGQBDHUGHBGMD-YFKPBYRVSA-N
- (S)-2-methylbutyric aldehyde
- (s)-(+)-2-methylbutanal
- Q27160271
- CHEBI:88414
- (S)-alpha-methylbutyric aldehyde
- 1730-97-8
- DTXSID801346324
- 2-methylbutanal
- 2-methylbutyraldehyde
-
- Inchi： 1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1
- InChI Key： BYGQBDHUGHBGMD-YFKPBYRVSA-N
- SMILES： O=C[C@@H](C)CC
Computed Properties
- Exact Mass: 86.0732
- Monoisotopic Mass: 86.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 41.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 17.07
Butanal, 2-methyl-,(2S)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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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
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