559016

Sigma-Aldrich

4-Methylhexanoic acid

97%

Linear Formula:
CH3CH2CH(CH3)CH2CH2COOH
CAS Number:
Molecular Weight:
130.18
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

bp

109-112 °C/10 mmHg (lit.)

bulk density

0.921 g/mL

SMILES string

CCC(C)CCC(O)=O

InChI

1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChI key

DIVCBWJKVSFZKJ-UHFFFAOYSA-N

Related Categories

Packaging

5 g in glass bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 559016.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

C

Risk Statement

10-34

Safety Statement

26-36/37/39-45

RIDADR

UN 2920 3(8) / PGII

WGK Germany

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Márta Dregus et al.
Journal of agricultural and food chemistry, 51(24), 7086-7091 (2003-11-13)
The enantiomeric compositions of 2-methylbutanol (1), 4-methylhexanol (2), 2-methylbutanoic acid (3), and 4-methylhexanoic acid (4) present in rhubarb (Rheum rhabarbarum L.) stalks were determined. Enantiodifferentiation was achieved via multidimensional gas chromatography using heptakis(2,3,6-tri-O-ethyl)-beta-cyclodextrin as a chiral stationary phase. For all...
J J Pitt
Journal of inherited metabolic disease, 16(2), 392-398 (1993-01-01)
The glycine conjugates of isocaproic, 4-methylhexanoic, 7-hydroxyoctanoic and 8-hydroxyoctanoic acids have been identified in the urine of children with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency using gas chromatography-mass spectrometry of the trimethylsilyl derivatives. A quantitative study showed that the glycine conjugates...

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