Skip to Content
MilliporeSigma
All Photos(1)

Documents

559016

Sigma-Aldrich

4-Methylhexanoic acid

97%

Synonym(s):

(±)-4-Methylhexanoic acid, 4-Ethylpentanoic acid, 4-Methylcaproic acid, 4-Methylhexanoic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3CH2CH(CH3)CH2CH2COOH
CAS Number:
1561-11-1
Molecular Weight:
130.18
EC Number:
216-336-8
MDL number:
MFCD00870848
UNSPSC Code:
51113400
PubChem Substance ID:
24879787
NACRES:
NA.22

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

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H226,H314

Hazard Classifications

Flam. Liq. 3 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

110.0 °F - closed cup

flash_point_c

43.33 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Matthew V Gomez et al.
Toxicological sciences : an official journal of the Society of Toxicology, 179(1), 14-30 (2020-10-21)
The gut microbiome is a pivotal player in toxicological responses. We investigated the effects of maternal exposure to 3 human health-relevant toxicants (BDE-47, tetrabromobisphenol [TBBPA], and bisphenol S [BPS]) on the composition and metabolite levels (bile acids [BAs] and short-chain
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

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

Contact Technical Service