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Key Documents

W270202

Sigma-Aldrich

5-Methylfurfural

≥98%, FG

Synonym(s):

5-Methyl-2-furaldehyde

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About This Item

Empirical Formula (Hill Notation):
C6H6O2
CAS Number:
Molecular Weight:
110.11
FEMA Number:
2702
Beilstein:
106895
EC Number:
Council of Europe no.:
119
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
13.001
NACRES:
NA.21

biological source

synthetic

Quality Level

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
FDA 21 CFR 117

Assay

≥98%

impurities

<0.1% DMF (residual starting material)

refractive index

n20/D 1.531 (lit.)

bp

187 °C (lit.)

density

1.107 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

caramel; maple; spicy; sweet

storage temp.

2-8°C

SMILES string

[H]C(=O)c1ccc(C)o1

InChI

1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

InChI key

OUDFNZMQXZILJD-UHFFFAOYSA-N

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General description

5-Methylfurfural has been identified as one of the volatile flavor compounds in tamarind, Dutch Coffee, barrel-aged wines and deep fat-fried soybeans.

Application


  • Metabolomics fingerprint of Philippine coffee by SPME-GC-MS for geographical and varietal classification.: This study employs solid-phase microextraction gas chromatography-mass spectrometry (SPME-GC-MS) to create a metabolomics fingerprint of Philippine coffee, identifying compounds like 5-Methylfurfural for the classification of coffee by geography and variety. This research highlights the potential of 5-Methylfurfural in distinguishing coffee varieties, showcasing its application in food biochemistry (Ongo et al., 2020).

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

161.6 °F - closed cup

Flash Point(C)

72 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Volatile flavor components of tamarind (Tamarindus indica L.).
Zhang Y, et al.
J. Essent. Oil Res., 2(4), 197-198 (1990)
Volatile flavor components of deep fat-fried soybeans.
Wilkens WF & Lin FM.
Journal of Agricultural and Food Chemistry, 18, 337-339 (1970)
Studies on the Flavor Compounds of Dutch Coffee by Headspace GC-Mass.
Hwang SH, et al.
Korean journal of food and cookery science, 30(5), 596-602 (2014)
Formation and degradation of furfuryl alcohol, 5-methylfurfuryl alcohol, vanillyl alcohol, and their ethyl ethers in barrel-aged wines.
Spillman PJ, et al.
Journal of Agricultural and Food Chemistry, 46(2), 657-663 (1998)
M T Jafari et al.
Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 25(6), 801-805 (2009-06-18)
A novel technique, corona discharge ion mobility spectrometry (CD-IMS), was developed for the qualitative and quantitative determination of 2-furfural (F) and 5-methyl-2-furfural (MF) in aqueous solutions. The limits of detection (LODs) were 5.3 x 10(-3) microg/mL for F and 6.7

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