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Cas Database

Name	Ethyl isobutyrylacetate	EINECS	230-491-9
CAS No.	7152-15-0	Density	0.979 g/cm³
PSA	43.37000	LogP	1.16470
Solubility	N/A	Melting Point	-9 °C(lit.)
Formula	C₈H₁₄O₃	Boiling Point	173 °C at 760 mmHg
Molecular Weight	158.197	Flash Point	53.3 °C
Transport Information	UN 3272 3/PG 3	Appearance	clear colorless to yellow liquid
Safety	16	Risk Codes	10
Molecular Structure		Hazard Symbols	R10:;
Synonyms	Valericacid, 4-methyl-3-oxo-, ethyl ester (6CI,8CI);4-Methyl-3-oxo-pentanoic acidethyl ester;4-Methyl-3-oxovaleric acid ethyl ester;Ethyl4-methyl-3-oxopentanoate;Ethyl 4-methyl-3-oxovalerate;Isobutyrylacetic acid ethyl ester;NSC 62029;g,g-Dimethylacetoacetic acid ethyl ester;	Article Data	52

Ethyl isobutyrylacetate Synthetic route

: 79-30-1
isobutyryl chloride

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
Stage #1: ethyl potassium malonate With triethylamine; magnesium chloride In ethyl acetate at 0 - 35℃; for 6.5h; Stage #2: isobutyryl chloride In ethyl acetate at 0 - 20℃; for 13h; Time;	61%
With triethylamine; magnesium chloride In acetonitrile

: 21633-78-3
diethyl isobutyrylmalonate

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water for 8h; Reflux;	54%
With isobutyric Acid; copper diacetate; magnesium oxide Heating;
With copper diacetate; magnesium oxide; isobutyric Acid at 145℃; for 14h;

: 563-80-4
3-methyl-butan-2-one

: 105-58-8
Diethyl carbonate

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With sodium hydride In toluene; mineral oil Reflux;	60%
With sodium hydride at 60 - 90℃;
With sodium hydride In benzene

: 563-80-4
3-methyl-butan-2-one

: 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide

: 105-58-8
Diethyl carbonate

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
In methanol; paraffin oil; benzene	81%

: 1071-46-1
hydrogen ethyl malonate

: 79-30-1
isobutyryl chloride

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran	99%
Stage #1: hydrogen ethyl malonate With [2,2]bipyridinyl; n-butyllithium In tetrahydrofuran; hexane at -70 - -10℃; Inert atmosphere; Stage #2: isobutyryl chloride In tetrahydrofuran; hexane at -65℃; for 0.166667h; Inert atmosphere;	80%

2-isobutyryl-acetoacetic acid ester: 2-isobutyryl-acetoacetic acid ester

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With sodium hydroxide
With diethyl ether; ammonia at 25℃;
With ammonium hydroxide at 40℃;

: 122622-90-6
Ethyl (+/-)-3-hydroxy-4-methyl-4-pentenoate

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In water; acetone at 60℃; for 16h; chemoselective reaction;	91%

: 38491-54-2
ethyl 2-diazo-3-hydroxy-4-methylpentanoate

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride In neat (no solvent) at 20℃; for 9h;	60%

: 105-36-2
ethyl bromoacetate

: 109853-52-3
N-(methylpropionyl)oxazolidin-2-one

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
With zinc In tetrahydrofuran 1) 30 deg C, 2 h, 2) reflux, 18 h;	83%

: 2033-24-1
cycl-isopropylidene malonate

: 64-17-5
ethanol

: 79-31-2
isobutyric Acid

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

Conditions

Conditions	Yield
Stage #1: cycl-isopropylidene malonate; isobutyric Acid With dmap In dichloromethane at 20℃; for 0.25h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 20℃; Stage #3: ethanol In toluene for 3h; Reflux;	48%

Ethyl isobutyrylacetate Chemical Properties

IUPAC Name: Ethyl 4-methyl-3-oxopentanoate
Empirical Formula: C₈H₁₄O₃
Molecular Weight: 158.195
Einecs: 230-491-9
Freely Rotating Bonds: 5
Polar Surface Area: 43.37 Å²
Index of Refraction: 1.419
Molar Refractivity: 40.87 cm³
Molar Volume: 161.5 cm³
Polarizability: 16.2 ×10^-24cm³
Surface Tension: 29.8 dyne/cm
Density: 0.979 g/cm³
Flash Point: 53.3 °C
Enthalpy of Vaporization: 40.94 kJ/mol
Boiling Point: 173 °C at 760 mmHg
Vapour Pressure: 1.29 mmHg at 25°C
The Cas Register Number of Pentanoic acid,4-methyl-3-oxo-, ethyl ester is 7152-15-0.The chemical synonyms of Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) are Ethyl isobutyrylacetate .The molecular structure of Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) is
.

Ethyl isobutyrylacetate Uses

Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) is used in organic synthesis.

Ethyl isobutyrylacetate Safety Profile

Risk Statements: 10
Safety Statements: 16
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

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