Skip to Content
Merck
All Photos(1)

Documents

Safety Information

21599

Supelco

Methyl hexanoate

analytical standard

Synonym(s):

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

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

About This Item

Linear Formula:
CH3(CH2)4COOCH3
CAS Number:
106-70-7
Molecular Weight:
130.18
Beilstein:
1744683
EC Number:
203-425-1
MDL number:
MFCD00009510
UNSPSC Code:
85151701
PubChem Substance ID:
329752179
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

Looking for similar products? Visit Product Comparison Guide

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.

Recommended products

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
GHS02

Signal Word

Warning

Hazard Statements

H226

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

21599-BULK-F:
21599-VAR-F:
21599-5ML-F:
21599-1ML-F:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCF7424
BCCF9173
BCCF7774
BCCF3850
BCCB5084

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

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 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
O Chukwumerije et al.
The Journal of investigative dermatology, 93(3), 349-352 (1989-09-01)
The efficacy of the methyl esters of medium chain n-alkyl fatty acids as penetration enhancers was evaluated in vitro using various animal and human skins with minoxidil as the test drug. Both methyl nonanoate and methyl caprate at a 10%
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
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
View All Related Papers

Protocols

GC Analysis of a 37-Component FAME Mix on Omegawax® (15 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

GC Analysis of a 37-Component FAME Mix on Omegawax® (15 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

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