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Merck

W346306

4-Methylpentanoic acid

≥98%, FCC, FG

Synonym(s):

4-Methylvaleric acid, 4-Methylpentanoic acid, Isocaproic acid

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About This Item

Linear Formula:
(CH3)2CHCH2CH2CO2H
CAS Number:
646-07-1
Molecular Weight:
116.16
FEMA Number:
3463
Council of Europe no.:
10150
UNSPSC Code:
12164502
PubChem Substance ID:
24901716
Flavis number:
8.057
EC Number:
211-464-0
NACRES:
NA.21
MDL number:
MFCD00002803
Beilstein/REAXYS Number:
1741912
Organoleptic:
pungent; cheesy
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CC(C)CCC(O)=O

InChI

1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChI key

FGKJLKRYENPLQH-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC

assay

≥98%

refractive index

n20/D 1.414 (lit.)

bp

199-201 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

pungent; cheesy

Quality Level

300, 400

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Related Categories

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3777
SHBT1411
SHBS7022
SHBS4754
SHBS1243

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G E Mortimore et al.
The Journal of biological chemistry, 262(34), 16322-16327 (1987-12-05)
Previous studies with livers from fed rats perfused in the single-pass mode have shown that regulatory amino acids (Leu, Tyr, Gln, Pro, Met, His, and Trp) as a group as well as leucine alone inhibit deprivation-induced protein degradation optimally at
S C Ling et al.
Journal of applied microbiology, 111(3), 559-571 (2011-06-22)
Polyhydroxyalkanoate (PHA) with enhanced physicochemical properties will be ideal for a wide range of practical applications. The incorporation of 3-hydroxy-4-methylvalerate (3H4MV) into the polymer backbone is known to improve the overall properties of the resulting polymer. However, the most suitable
A G Buchanan
Journal of clinical microbiology, 20(1), 74-76 (1984-07-01)
A procedure was devised for routine examination of feces for Clostridium difficile with selective enrichment broth culture containing increased levels of carbohydrates and antibiotics to detect cytotoxin and volatile acids in broths inoculated with fecal samples. C. difficile was detected
Viridiana Tejada-Ortigoza et al.
Molecules (Basel, Switzerland), 24(4) (2019-02-17)
Fruit by-products are being investigated as non-conventional alternative sources of dietary fiber (DF). High hydrostatic pressure (HHP) treatments have been used to modify DF content as well as its technological and physiological functionality. Orange, mango and prickly pear peels untreated
R A Bowman et al.
Journal of clinical pathology, 39(2), 212-214 (1986-02-01)
A total of 329 selective enrichment broth cultures were tested for detection of Clostridium difficile by latex particle agglutination (LPA), gas-liquid chromatography, and bacterial culture. Of 53 broths positive by LPA, 36 were positive by gas-liquid chromatography, and 42 were
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