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Safety Information

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:
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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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

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

78651-1ML:
78651-5ML:
78651-BULK:
78651-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG8235
BCCD7898
BCCB5582
BCBW1234
BCBT2876

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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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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.

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