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302694

Sigma-Aldrich

3-Acetyl-2,5-dimethylfuran

98%

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About This Item

Empirical Formula (Hill Notation):
C8H10O2
CAS Number:
10599-70-9
Molecular Weight:
138.16
EC Number:
234-216-3
MDL number:
MFCD00010281
UNSPSC Code:
12352100
PubChem Substance ID:
24858269
NACRES:
NA.22
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Quality Level

100

Assay

98%

refractive index

n20/D 1.485 (lit.)

bp

62 °C/0.25 mmHg (lit.)

density

1.038 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)c1cc(C)oc1C

InChI

1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3

InChI key

KBSVBCHYXYXDAG-UHFFFAOYSA-N

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General description

3-Acetyl-2,5-dimethylfuran is a flavouring agent and its specifications were revised.[1]

Application

3-Acetyl-2,5-dimethylfuran was used in synthesis of:
  • furylfulgide, 2-[1-(2, 5-dimethyl-3-furyl) ethylidene]-3-isopropylidene succinic anhydride[2]
  • chalcones[3]
  • 1-(2′,5′-dimethyl-3′-furyl)-3-(aryl)-2-propen-1-one[3]

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL7159
MKBX5647V
02512JE
07931CW
18030DB

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J Bend et al.
World Health Organization technical report series, (947)(947), 1-225 (2008-06-17)
This report represents the conclusions of a Joint FAO/WHO Expert Committee convened to evaluate the safety of various food additives, including flavouring agents, with a view to recommending acceptable daily intakes (ADIs) and to preparing specifications for identity and purity.
Photochromism of a furylfulgide, 2-[1-(2, 5-dimethyl-3-furyl) ethylidene]-3-isopropylidene succinic anhydride in solvents and polymer films
Yokoyama Y, et al.
Bulletin of the Chemical Society of Japan, 63(6), 1607-1610 (1990)
SYNTHESIS AND STUDY OF ANTI-INFLAMMATORY AND ANTIMICROBIAL ACTIVITY OF SOME NEW 1, 3, 5-TRISUBSTITUTED PYRAZOLINES.
Sridhar S, et al.
International Journal of Chemical Sciences, 8(4), 2697-2707 (2010)
Maura Koehle et al.
ChemSusChem, 10(1), 91-98 (2016-12-13)
A four-step catalytic process was developed to produce p-methylstyrene from methylfuran, a biomass-derived species. First, methylfuran was acylated over zeolite H-Beta with acetic anhydride. Second, the acetyl group was reduced to an ethyl group with hydrogen over copper chromite. Third

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