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78651

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
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329768168
EC Number:
207-975-3
Beilstein/REAXYS Number:
1098522
MDL number:
MFCD00002726
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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 1.403 (lit.), n20/D 1.402-1.404

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

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.

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

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
BCCG8235
BCCD7898
BCCB5582
BCBW1234
BCBT2876

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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)
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Global Trade Item Number

SKUGTIN
78651-1ML04061832947075
78651-5ML04061837242397