Isovaleric acid - CAS 503-74-2
Catalog: |
BB027032 |
Product Name: |
Isovaleric acid |
CAS: |
503-74-2 |
Synonyms: |
3-methylbutanoic acid |
IUPAC Name: | 3-methylbutanoic acid |
Description: | Isovaleric acid (CAS# 503-74-2) is a useful research chemical. |
Molecular Weight: | 102.13 |
Molecular Formula: | C5H10O2 |
Canonical SMILES: | CC(C)CC(=O)O |
InChI: | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
InChI Key: | GWYFCOCPABKNJV-UHFFFAOYSA-N |
Boiling Point: | 176 °C |
Melting Point: | -35°C |
Flash Point: | 70°C |
Purity: | 35 % |
Density: | 0.926 g/cm3 |
Appearance: | Isovaleric acid is a colorless liquid with a penetrating odor. isovaleric acid is slightly soluble in water. isovaleric acid is corrosive to metals and to tissue. |
Decomposition: | When heated to decomposition it emits acrid smoke and fumes |
MDL: | MFCD00002726 |
LogP: | 1.11710 |
Refractive Index: | 1.399-1.407 |
Vapor Pressure: | 0.44 [mmHg] |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109153964-A | Filamentous fungi biology pad and its production method and application method | 20160301 |
CN-105136787-A | Detection reagent for mono-hydroxyphenyl metabolin urine | 20150828 |
US-2015104419-A1 | Feedlot administered bacterial composition | 20141218 |
US-2015104420-A1 | Dairy administered bacterial composition | 20141218 |
US-2015104421-A1 | Calf administered bacterial composition | 20141218 |
PMID | Publication Date | Title | Journal |
22594616 | 20121201 | Longitudinal study of volatile fatty acids in the gingival crevicular fluid of patients with periodontitis before and after nonsurgical therapy | Journal of periodontal research |
22994321 | 20121101 | 20-Residue and 11-residue peptaibols from the fungus Trichoderma longibrachiatum are synergistic in forming Na+/K+ -permeable channels and adverse action towards mammalian cells | The FEBS journal |
22682363 | 20121001 | Volatile organic compounds at swine facilities: a critical review | Chemosphere |
22840201 | 20121001 | Removal of off-flavors from sea tangle (Laminaria japonica) extract by fermentation with Aspergillus oryzae | Bioresource technology |
22851241 | 20121001 | Effects of pine bark supplementation on performance, rumen fermentation, and carcass characteristics of Kiko crossbred male goats | Journal of animal science |
Complexity: | 66.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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