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Isovaleric acid

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For Research Use Only | Not For Clinical Use
CATAPS503742
CAS503-74-2
Structure
MDL NumberMFCD00002726
IUPAC Name3-methylbutanoic acid
Molecular Weight102.13
Molecular FormulaC5H10O2
EC Number207-975-3
Canonical SMILESCC(C)CC(=O)O
InChIInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI KeyGWYFCOCPABKNJV-UHFFFAOYSA-N
REAXYS Number1098522
Descriptionanalytical standard
Density0.925 g/mL at 20 °C (lit.)
Accurate Mass102.0681
Assay≥98.5% (GC)
Autoignition Temperature824 °F; gas chromatography (GC): suitable
BP175-177 °C (lit.)
Formneat
FormatNeat
Gradeanalytical standard
Impurities≤0.3% water
Linear Formula(CH3)2CHCH2COOH
MP−29 °C (lit.)
Refractive Indexn20/D 1.402-1.404; n20/D 1.403 (lit.)
ShippingRoom Temperature
Size1ML, 5ML
Storage Conditions+20°C
SubcategoryFood additives, flavours and adulterants
Vapor Pressure0.38 mmHg ( 20 °C)
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