ACETOACETIC ACID N-BUTYL ESTER
- CAS NO.：591-60-6
- Empirical Formula: C8H14O3
- Molecular Weight: 158.2
- MDL number: MFCD00059252
- EINECS: 209-722-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-16 09:55:40
What is ACETOACETIC ACID N-BUTYL ESTER?
Chemical properties
Colorless liquid. Insoluble in water; solu- ble in alcohol and ether. Combustible.
The Uses of ACETOACETIC ACID N-BUTYL ESTER
Intermediate in synthesis of metal derivatives, dyestuffs, pharmaceuticals, flavoring.
Preparation
By heating butyl acetate and sodium or potassium butylate; from ethyl acetoacetate and n-butyl alcohol; by reacting diketene and butyl alcohol in the presence of acetic acid and pyridine.
Definition
ChEBI: Butyl acetoacetate is an oxo carboxylic acid.
Synthesis Reference(s)
Journal of the American Chemical Society, 75, p. 5400, 1953 DOI: 10.1021/ja01117a076
Safety Profile
Mddly toxic by ingestion. A skin and eye irritant.
Properties of ACETOACETIC ACID N-BUTYL ESTER
| Melting point: | -35.6°C |
| Boiling point: | 223.28°C (rough estimate) |
| Density | 0.98 |
| refractive index | 1.4250-1.4290 |
| FEMA | 2176 | BUTYL ACETOACETATE |
| Flash point: | 85 °C |
| pka | 10.68±0.46(Predicted) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. sweet fruity brandy fermented |
| JECFA Number | 596 |
| InChI | InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3 |
| EPA Substance Registry System | Butanoic acid, 3-oxo-, butyl ester (591-60-6) |
Safety information for ACETOACETIC ACID N-BUTYL ESTER
| Signal word | Warning |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for ACETOACETIC ACID N-BUTYL ESTER
| InChIKey | REIYHFWZISXFKU-UHFFFAOYSA-N |
| SMILES | C(OCCCC)(=O)CC(=O)C |
New Products
(E)-1-Ethoxyethene-2-boronic Acid Pinacol Ester 1,3-Diethyl-1,3-Diphenylurea 3-(4-morpholinophenylamino)-5-amino-1H-pyrazole-4-carbonitrile Methyl 2-methylquinoline-6-carboxylate 2,4-dihydroxybenzaldehyde 2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile 1,3-Di Iodo Benzene Methyl 2-oxo-2,3-dihydrobenzo[d]oxazole-7-carboxylate 4-(2-Aminoethyl)-7-hydroxy-2H-chromoen-2-one 3-Hydroxy-4-nitrobromobenzene 2-Ethyl-1,4-diaminobenzene 2-Ethylhexyl 4-aminobenzoate Thio AcetamideRelated products of tetrahydrofuran
You may like
-
Butyl Acetoacetate CAS 591-60-6View Details
591-60-6 -
Acetoacetic acid n-butyl ester 95% CAS 591-60-6View Details
591-60-6 -
MFCD22560726 98%View Details
MFCD22560726 -
4-(2-Aminoethyl)-7-hydroxy-2H-chromoen-2-one 98%View Details
1234064-08-4. -
2-Ethyl-1,4-diaminobenzene 98%View Details
MFCD19203885 -
2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile 98%View Details
-
Hot Sales:Thio AcetamideView Details
62-55-5 -
CosmoticsView Details
26218-04-2
Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.