ChemicalBook--->CAS DataBase List--->10599-70-9

10599-70-9

10599-70-9 Structure

10599-70-9 Structure
IdentificationMore
[Name]

3-ACETYL-2,5-DIMETHYLFURAN
[CAS]

10599-70-9
[Synonyms]

1-(2,5-DIMETHYL-3-FURYL)ETHAN-1-ONE
2,5-DIMETHYL-3-ACETYL FURAN
3-ACETYL-2,5-DIMETHYLFURAN
FEMA 3391
1-(2,5-Dimethyl-3-furyl)ethanone
Ethanone, 1-(2,5-dimethyl-3-furanyl)-
Furan, 3-acetyl-2,5-dimethyl
3-axetyl2,5-dimethylfuran
3-ACETYL-2 5-DIMETHYLFURAN 99+% FCC
1-(2,5-DIMETHYL-3-FURANYL)-ETHANON
1-(2,5-Dimethyl-3-furanyl)ethanone
[EINECS(EC#)]

234-216-3
[Molecular Formula]

C8H10O2
[MDL Number]

MFCD00010281
[Molecular Weight]

138.16
[MOL File]

10599-70-9.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Boiling point ]

62 °C/0.25 mmHg (lit.)
[density ]

1.038 g/mL at 25 °C(lit.)
[FEMA ]

3391
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

174 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Yellow
[Specific Gravity]

1.038
[Odor]

at 1.00 % in dipropylene glycol. sweet musty nutty earthy cocoa corn leather
[biological source]

synthetic
[Odor Type]

musty
[JECFA Number]

1506
[BRN ]

112094
[InChI]

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

KBSVBCHYXYXDAG-UHFFFAOYSA-N
[SMILES]

CC(=O)c1cc(C)oc1C
[LogP]

1.74
[CAS DataBase Reference]

10599-70-9(CAS DataBase Reference)
[EPA Substance Registry System]

3-Acetyl-2,5-dimethylfuran (10599-70-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2932190090
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic anhydride-->Tin tetrachloride-->2,5-Dimethylfuran
[Preparation Products]

2,5-Dimethyl-3-furoic acid
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
10599-70-9 
FL.No.: 
13.066
FEMA.No.: 
3391
NAS.No.: 
3391
CoE.No.: 
10921
EINECS.No.: 
234-216-3 
JECFA.No.: 
1506
 
 
[Description]

It is a liquid with a powerful, slightly roasted, nut-like aroma.
[Regulatory Status]

CoE: n/a
FDA: n/a
FDA (other): n/a
JECFA: The committee concluded that the Procedure for the Safety Evaluation of Flavouring Agents could not be applied to this group (2005).
[Usage]

Reported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Baked goods 
4
4
Frozen dairy 
0.6
0.6
Gelatins, puddings 
1.5
1.5
Gravies 
4
4
Meat products 
2
2
Milk products 
0.6
0.6
Nonalcoholic beverages 
1
1
Soft candy 
1.5
1.5
Soups 
4
4
[Natural occurrence]

Reported found in coffee.
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liqui
[Chemical Properties]

It is a liquid with a powerful, slightly roasted, nut-like aroma
[Occurrence]

Reported found in coffee.
[Uses]

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

ChEBI: 3-acetyl-2,5-dimethylfuran is a member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively. It has a role as a flavouring agent, a plant metabolite and a mutagen. It is an aromatic ketone, a member of furans and a methyl ketone.
[Aroma threshold values]

Detection at 1%: musty, earthy, nutty, raw potato, slightly green with a roasted almond nuance
[Taste threshold values]

Taste characteristics at 2 ppm: musty, earthy raw potato, nutty and cocoalike with almond, corn and savory nuances.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 4883, 1960 DOI: 10.1021/ja01503a033
Synthetic Communications, 18, p. 1841, 1988 DOI: 10.1080/00397918808060939
[General Description]

3-Acetyl-2,5-dimethylfuran is a flavouring agent and its specifications were revised.
Spectrum DetailBack Directory
[Spectrum Detail]

3-ACETYL-2,5-DIMETHYLFURAN(10599-70-9)MS
3-ACETYL-2,5-DIMETHYLFURAN(10599-70-9)1HNMR
3-ACETYL-2,5-DIMETHYLFURAN(10599-70-9)IR1
3-ACETYL-2,5-DIMETHYLFURAN(10599-70-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Acetyl-2,5-dimethylfuran, 98%(10599-70-9)
[Alfa Aesar]

3-Acetyl-2,5-dimethylfuran, 98%(10599-70-9)
[Sigma Aldrich]

10599-70-9(sigmaaldrich)
[TCI AMERICA]

3-Acetyl-2,5-dimethylfuran,>98.0%(GC)(10599-70-9)
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