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78651

Supelco

Isovaleric acid

analytical standard

Synonym(s):

3-Methylbutanoic acid, 3-Methylbutyric acid

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About This Item

Linear Formula:
(CH3)2CHCH2COOH
CAS Number:
503-74-2
Molecular Weight:
102.13
Beilstein/REAXYS Number:
1098522
EC Number:
207-975-3
MDL number:
MFCD00002726
UNSPSC Code:
85151701
PubChem Substance ID:
329768168
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor pressure

0.38 mmHg ( 20 °C)

assay

≥98.5% (GC)

autoignition temp.

824 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤0.3% water

refractive index

n20/D 1.402-1.404
n20/D 1.403 (lit.)

bp

175-177 °C (lit.)

mp

−29 °C (lit.)

density

0.925 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CC(C)CC(O)=O

InChI

1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI key

GWYFCOCPABKNJV-UHFFFAOYSA-N

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Related Categories

Application

Isovaleric acid may be used as an analytical reference standard for the quantification of the analyte in the following:
  • Rose apple (Syzygium jambos Alston) fruit using gas chromatography with flame ionization detection (GC-FID), mass spectrometry (GC-MS) and olfactometry/aroma extract dilution analysis (GC-O/AEDA).
  • Sicilian goat cheese using gas chromatography with flame ionization detection (GC-FID) and mass spectrometry (GC-MS).
  • Food products using gas chromatography with flame ionization detection (GC-FID).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible, corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

176.0 °F - Pensky-Martens closed cup

flash_point_c

80 °C - Pensky-Martens closed cup

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Certificates of Analysis (COA)

Lot/Batch Number

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Isopentanoic acid for synthesis

Sigma-Aldrich

8.00820

Isopentanoic acid

Isobutyric acid puriss. p.a., ≥99.5%

Sigma-Aldrich

58360

Isobutyric acid

Isobutyric acid natural, ≥99%, FCC, FG

Sigma-Aldrich

W222216

Isobutyric acid

4-Methylvaleric acid 99%

Sigma-Aldrich

277827

4-Methylvaleric acid

Sodium isovalerate-1-13C 99 atom % 13C

Sigma-Aldrich

487643

Sodium isovalerate-1-13C

Isobutyric acid 99%

Sigma-Aldrich

I1754

Isobutyric acid

3-Methylvaleric acid 97% (GC)

Sigma-Aldrich

222453

3-Methylvaleric acid

Propionic acid puriss. p.a., ≥99.5% (GC)

Sigma-Aldrich

81910

Propionic acid

Hexanoic acid purum, ≥98.0% (GC)

Sigma-Aldrich

21530

Hexanoic acid

Determination of acids in Brazilian sugar cane spirits and other alcoholic beverages by HRGC-SPE
Nascimento DFR, et al.
Chromatographia, 48(11-12), 751-757 (1998)
Giuditta Pagliai et al.
European journal of nutrition, 59(5), 2011-2024 (2019-07-12)
We evaluated the effect of low-calorie mediterranean (MD) and vegetarian (VD) diets on gut microbiome (GM) composition and short-chain-fatty acids (SCFA) production. We performed next generation sequencing (NGS) of 16S rRNA and SCFA analysis on fecal samples of 23 overweight
Elena Niccolai et al.
World journal of gastroenterology, 25(36), 5543-5558 (2019-10-03)
An altered (dysbiosis) and unhealthy status of the gut microbiota is usually responsible for a reduction of short chain fatty acids (SCFAs) concentration. SCFAs obtained from the carbohydrate fermentation processes are crucial in maintaining gut homeostasis and their determination in
Study of the aroma compounds of rose apple (Syzygium jambos Alston) fruit from Brazil
Guedes MC, et al.
European Food Research and Technology, 219(5), 460-464 (2004)
Quantitative and sensory evaluation of malodour retention of fibre types by use of artificial skin, sweat and radiolabelled isovaleric acid
Hammer RT, et al.
Flavour and Fragrance Journal, 28(4), 238-244 (2013)
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Articles

GC Analysis of C2-C7 Free Fatty Acids on Nukol™

Separation of Propionic acid; Acetic acid; Heptanoic acid; Isobutyric acid; Valeric acid; Isocaproic acid; Butyric acid; Isovaleric acid

GC Analysis of C2-C22 Free Fatty Acids on Nukol™

Separation of Methyl oleate; Caprylic acid; Heptanoic acid; Methyl decanoate; Methyl dodecanoate; Myristic acid; Methyl palmitate; Methyl palmitoleate; Methyl stearate; Methyl linoleate; Methyl linolenate; Acetic acid; Arachidic acid; Behenic acid; Propionic acid; Isobutyric acid; Valeric acid; Isovaleric acid; Isocaproic acid; Butyric acid

Protocols

GC Analysis of Free Fatty Acids in Parmesan Cheese using Nukol™ after SPME using 65 μm Carbowax/DVB Fiber

In this study, SPME was used for the analysis of free fatty acids in Parmesan cheese using a 65 μm Carbowax/divinylbenzene (DVB) SPME fiber. Headspace extraction of the cheese sample was conducted at 65 °C for 15 minutes and analyzed by GC with FID detection. SPME is ideal for analyzing the volatiles associated with solid food samples. The phase chemistry of the Nukol GC column provides excellent peak shape of acidic compounds.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

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