| Identification | More | [Name]
Ethyl pivaloylacetate | [CAS]
17094-34-7 | [Synonyms]
4,4-DIMETHYL-3-OXOPENTANOIC ACID ETHYL ESTER
4,4-DIMETHYL-3-OXOVALERIC ACID ETHYL ESTER
ETHYL 3,3,3-TRIMETHYLACETOACETATE
ETHYL-3-OXO-4,4-DIMETHYLPENTANOATE
ETHYL 4,4-DIMETHYL-3-OXOPENTANOATE
ETHYL 4,4-DIMETHYL-3-OXOVALERATE
ETHYL PIVALOYLACETATE
PIVALOYLACETIC ACID ETHYL ESTER
4,4-dimethyl-3-oxo-pentanoicaciethylester
Ethyl4,4,4-trimethylacetoacetate
Pentanoicacid,4,4-dimethyl-3-oxo-,ethylester
4,4-DIMETHYL-3-OXOVALERIC ACID ETHYL ESTER 98+%
4,4-Dimethyl-3-oxopentanoic acid ethyl ester, Ethyl 4,4-dimethyl-3-oxopentanoate
3-Oxo-4,4-dimethylpentanoic acid ethyl ester | [EINECS(EC#)]
241-162-4 | [Molecular Formula]
C9H16O3 | [MDL Number]
MFCD00042886 | [Molecular Weight]
172.22 | [MOL File]
17094-34-7.mol |
| Chemical Properties | Back Directory | [Boiling point ]
88-90 °C/10 mmHg (lit.) | [density ]
0.967 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.432
| [Fp ]
78°C | [storage temp. ]
Store at -20°C | [form ]
clear liquid | [pka]
10.80±0.46(Predicted) | [color ]
Colorless to Light yellow | [BRN ]
1767555 | [InChI]
InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3 | [InChIKey]
VUYNTIDSHCJIKF-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)CC(=O)C(C)(C)C | [LogP]
1.940 (est) | [CAS DataBase Reference]
17094-34-7(CAS DataBase Reference) | [EPA Substance Registry System]
17094-34-7(EPA Substance) |
| Safety Data | Back Directory | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29183000 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless liquid | [Uses]
Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1]. | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 32, p. 723, 1995 DOI: 10.1002/jhet.5570320303 | [References]
[1] Zhu D, et, al. A recombinant ketoreductase tool-box. Assessing the substrate selectivity and stereoselectivity toward the reduction of β-ketoesters. Tetrahedron. 2006 Jan; 62 (5): 901-905. |
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