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4906-24-5

4906-24-5 Structure

4906-24-5 Structure
IdentificationMore
[Name]

3-ACETOXY-2-BUTANONE
[CAS]

4906-24-5
[Synonyms]

2-ACETOXY-3-BUTANONE
3-ACETOXY-2-BUTANONE
ACETYL METHYL CARBINYL ACETATE
FEMA 3526
SEC-BUTAN-3-ONYL ACETATE
2-Ketobutan-3-yl acetate
3-oxo-2-butyl acetate
Acetoin acetate
Acetoineacetate
2-Butanone, 3-(acetyloxy)-
3-(ACETYLOXY)-2-BUTANON
3-Acetyloxy-2-butanone
Acetic acid 1-acetylethyl ester
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00051782
[Molecular Weight]

130.14
[MOL File]

4906-24-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

56-58°C 30mm
[density ]

1,02 g/cm3
[FEMA ]

3526
[refractive index ]

1.4135
[Fp ]

66°C
[Odor]

at 10.00 % in propylene glycol. pungent sweet creamy buttery
[Odor Type]

fruity
[JECFA Number]

406
[BRN ]

1756882
[Major Application]

flavors and fragrances
[InChI]

1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3
[InChIKey]

ZKPTYCJWRHHBOW-UHFFFAOYSA-N
[SMILES]

CC(OC(C)=O)C(C)=O
[LogP]

0.68
[CAS DataBase Reference]

4906-24-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[uses]

3-Acetoxy-2-butanone can be used as an edible spice, mainly for the preparation of milk and dairy flavors.
[Identification]

CAS.No.: 
4906-24-5 
FL.No.: 
9.186
FEMA.No.: 
3526
NAS.No.: 
3526
CoE.No.: 
608
EINECS.No.: 
n/a 
JECFA.No.: 
406
 
 
[Regulatory Status]

CoE: Approved. Bev.: 1 ppm; Food: 10 ppm
FDA: n/a
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1998).
[Usage]

Reported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Alcoholic.beverages 
5.37
20
Baked.goods 
10.6
49.3
Frozen.dairy 
5.37
20
Gelatins,puddings 
5.38
20
Nonalcoholic.beverages 
5
20
Soft.candy 
9.91
47.8
[Natural occurrence]

Reported found in pineapple (Ananas comoscus), roasted chicken, red wine, cocoa, arctic bramble (Rubus articus L.) and pawpaw (Asimina triloba L. Dunal).
Safety DataBack Directory
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Occurrence]

Reported found in pineapple (Ananas comoscus), roasted chicken, red wine, cocoa, arctic bramble (Rubus articus L.) and pawpaw (Asimina triloba L. Dunal).
[Definition]

ChEBI: Acetoin acetate is a carboxylic ester and a ketone.
[Aroma threshold values]

Detection at 5.0%: sweet, fruity, estry, chemical, pineapple, apple, banana with a ketonic nuance.
[Taste threshold values]

Taste characteristics at 100 ppm: fruity body, fleshy, rimy, grape, and winey.
[General Description]

2-Acetoxy-3-butanone occurs naturally in paw paw fruit. It is also reported to be formed by the reaction between cysteine and 2,5-dimethyl-4-hydroxy-3(2H)-furanone.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Acetoxy-2-butanone, 98%(4906-24-5)
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