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Safety Information

W270814

Sigma-Aldrich

Methyl hexanoate

greener alternative

natural, ≥99%, FG

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Synonym(s):
Caproic acid methyl ester, Methyl caproate
Linear Formula:
CH3(CH2)4COOCH3
CAS Number:
Molecular Weight:
130.18
FEMA Number:
2708
Beilstein:
1744683
EC Number:
Council of Europe no.:
319c
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.069
NACRES:
NA.21

grade

FG
Halal
Kosher
natural

Quality Level

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 172.515

Assay

≥99%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product, Greener Alternative Product

refractive index

n20/D 1.405 (lit.)

bp

151 °C (lit.)

mp

−71 °C (lit.)

density

0.885 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

greener alternative category

Organoleptic

fruity; ethereal; pineapple

SMILES string

CCCCCC(=O)OC

InChI

1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

InChI key

NUKZAGXMHTUAFE-UHFFFAOYSA-N

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives. This product is a Biobased product aligning with the principles of "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks" in Green Chemistry.

Application


  • Identification of Volatile Markers during Early Zygosaccharomyces rouxii Contamination in Mature and Immature Jujube Honey.: This study identifies volatile markers, including Methyl hexanoate, associated with early contamination of jujube honey by Zygosaccharomyces rouxii. The findings highlight the potential use of these markers in food quality control and safety applications. (Wang et al., 2023).

  • Effect of drainage ratio during strawberry cultivation: The volatilomics-based shelf-life indicators for strawberry fruit.: Research explores the impact of drainage ratio on the shelf-life of strawberries, identifying Methyl hexanoate among key volatile compounds. This work provides valuable insights for improving post-harvest fruit quality. (Cho et al., 2023).

  • Evaluation of FAU-type Zeolite Membrane Stability in Transesterification Reaction Conditions.: Investigates the stability of FAU-type zeolite membranes in transesterification reactions, utilizing Methyl hexanoate as a model compound. This research advances the understanding of membrane durability under industrial conditions. (Ikeda et al., 2023).

  • The Functional Characterization of Carboxylesterases Involved in the Degradation of Volatile Esters Produced in Strawberry Fruits.: Characterizes the role of carboxylesterases in degrading volatile esters, such as Methyl hexanoate, during strawberry ripening. The study aids in understanding the biochemical processes influencing fruit aroma and quality. (Zhang et al., 2022).

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 3

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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’.

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Supriyadi et al.
Bioscience, biotechnology, and biochemistry, 67(6), 1267-1271 (2003-07-05)
The methyl esters of carboxylic acids are characteristic olfactory volatile compounds for the sweet aroma of snake fruit, (Salacca edulis, Reinw) cv. Pondoh. Although methanol was not detected as a volatile constituent, the crude enzymes showed activity to synthesize the
David M Obenland et al.
Journal of agricultural and food chemistry, 51(11), 3367-3371 (2003-05-15)
Volatile emissions of navel orange (Citrus sinensis L. Osbeck cv. Washington) fruit were evaluated as a means for predicting and gauging freeze damage. The fruits were subjected to -5 or -7 degrees C treatments in a laboratory freezer for various
J C Knight et al.
Journal of the American Mosquito Control Association, 7(1), 37-41 (1991-03-01)
Evidence is reviewed for a dose-dependent reversal of response in mosquito oviposition, in which a compound that attracts or stimulates oviposition may repel or deter oviposition at a higher concentration. On the basis of a review of structure-activity relationships in
Teun Dekker et al.
Current biology : CB, 16(1), 101-109 (2006-01-13)
Olfaction in the fruit fly Drosophila melanogaster is increasingly understood, from ligand-receptor-neuron combinations to their axonal projection patterns into the antennal lobe . Drosophila thus offers an excellent opportunity to study the evolutionary and ecological dynamics of olfactory systems. We
J P Winpenny et al.
The Journal of physiology, 456, 1-17 (1992-10-01)
1. A two-microelectrode voltage clamp was used to determine the effects of n-butanol, n-hexanol, n-octanol, n-decanol and methyl hexanoate on a transient potassium (IA) current in identified Helix aspersa neurones. Experiments were carried out at a temperature of 10-12 degrees

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