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Merck
CN

75218

Methyl heptanoate

analytical standard

Synonym(s):

Heptanoic acid methyl ester, Methyl enanthate

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About This Item

Empirical Formula (Hill Notation):
C8H16O2
CAS Number:
Molecular Weight:
144.21
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-428-8
Beilstein/REAXYS Number:
1747147
MDL number:
Technical Service
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grade

analytical standard

Quality Level

assay

≥99.8% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.411

bp

171-172 °C (lit.)

density

0.880 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

functional group

ester

shipped in

ambient

storage temp.

room temp

SMILES string

CCCCCCC(=O)OC

InChI

1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

InChI key

XNCNNDVCAUWAIT-UHFFFAOYSA-N

General description

Methyl heptanoate is a fatty acid ester prepared by treating heptanoic acid with methyl alcohol in the presence of hydrochloric acid or sulfuric acid. It is commonly used as a flavoring agent in food products.

Application

Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

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.


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pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

125.6 °F - closed cup

flash_point_c

52 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Retention of aroma compounds in starch matrices: competitions between aroma compounds toward amylose and amylopectin
Arvisenet.G, et al.
Journal of Agricultural and Food Chemistry, 50(25), 7345-7349 (2002)
Encyclopedia of Agriculture and Food Systems, 50(25), 7345-7349 (2014)



Global Trade Item Number

SKUGTIN
341126-100MG04061833546864
387614-227G04061837858482
4883804061837423970
CRM4460904061833542064
CRM4794904061833542514
387614-PZ04061823974615
743593-390G-EU04061833021958
779202-25ML04061832940854
779202-1L04061838129550
779202-100ML04061832940847
75218-5ML04061832907253
75218-1ML04061832907246