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Supelco

Methyl hexanoate

analytical standard

Synonym(s):

Caproic acid methyl ester, Hexanoic acid methyl ester, Methyl caproate

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About This Item

Linear Formula:
CH3(CH2)4COOCH3
CAS Number:
Molecular Weight:
130.18
Beilstein:
1744683
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

Assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.405

density

0.884 g/mL at 20 °C (lit.)

format

neat

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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Application

Methyl hexanoate may be used as an analytical reagent in determination of the analyte from aged cava sparkling wine by gas chromatography−mass spectrometry (GC−MS) method following simultaneous distillation extraction (SDE) and closed-loop stripping analysis (CLSA).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

99.5 °F - closed cup

Flash Point(C)

37.5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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
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
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
Kazutoku Ohta et al.
Journal of chromatography. A, 997(1-2), 107-116 (2003-07-02)
The application of C7 aliphatic carboxylic acids (heptanoic, 2-methylhexanoic, 5-methylhexanoic and 2,2-dimethyl-n-valeric acids) as eluents in ion-exclusion chromatography with conductimetric detection for C1-C6 aliphatic carboxylic acids (formic, acetic, propionic, isobutyric, butyric, isovaleric, valeric, isocaproic and caproic acids) was carried out

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