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559016

4-Methylhexanoic acid

Name: 4-Methylhexanoic acid
Brand: ALDRICH

97%

Synonym(s):

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

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About This Item

Linear Formula:

CH₃CH₂CH(CH₃)CH₂CH₂COOH

CAS Number:

1561-11-1

Molecular Weight:

130.18

NACRES:

NA.22

PubChem Substance ID:

24879787

UNSPSC Code:

51113400

EC Number:

216-336-8

MDL number:

MFCD00870848

Assay:

97%

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Properties

Quality Level

100

assay

97%

bp

109-112 °C/10 mmHg (lit.)

bulk density

0.921 g/mL

functional group

carboxylic acid

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

Description

pictograms

GHS02,GHS05

signalword

Danger

hcodes

H226,H314

pcodes

P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

Flam. Liq. 3 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品

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Early Life Exposure to Environmental Contaminants (BDE-47, TBBPA, and BPS) Produced Persistent Alterations in Fecal Microbiome in Adult Male Mice.

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

Enantioselective analysis of methyl-branched alcohols and acids in rhubarb (Rheum rhabarbarum L.) stalks.

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

Novel glycine conjugates in medium-chain acyl-CoA dehydrogenase deficiency.

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

Global Trade Item Number

SKU	GTIN
559016-1G	04061837719493
559016-5G	04061837719509