AG0034WB

7152-15-0 | Ethyl isobutyrylacetate

AG0034WB

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CAS Number	7152-15-0
Catalog Number	AG0034WB(AGN-PC-07A1YO)
Chemical Name	Ethyl isobutyrylacetate
EC Number	230-491-9
IUPAC Name	ethyl 4-methyl-3-oxopentanoate
InChI	InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChI Key	XCLDSQRVMMXWMS-UHFFFAOYSA-N
MDL Number	MFCD00001069
Molecular Formula	C8H14O3
Molecular Weight	158.1950
NSC Number	62029
SMILES	O=C(OCC)CC(=O)C(C)C
Synonyms	Ethyl isobutyrylacetate, 7152-15-0, Ethyl 4-methyl-3-oxopentanoate, 4-methyl-3-oxo-pentanoic acid ethyl ester, Pentanoic acid, 4-methyl-3-oxo-, ethyl ester, Ethyl isobutyroylacetate, Ethyl isobutyrylacetate, 95%, Valeric acid, 4-methyl-3-oxo-, ethyl ester, Isobutyrylacetic Acid Ethyl Ester, XCLDSQRVMMXWMS-UHFFFAOYSA-N, .gamma.,.gamma.-Dimethylacetoacetic acid ethyl ester, MFCD00009198, beta-KETO-gamma-METHYLVALERIC ACID ETHYL ESTER, Ethyl alpha -isobutyroylacetate, EINECS 230-491-9, ethyl iso-butyrylacetate, ethyl isobutyryl acetate, AI3-37917, AC1Q5GVE, ethyl 2-isobutyrylacetate, ACMC-209oj1, AC1Q34MX, ethyl 2-(isobutyryl)acetate, NCIOpen2_003819, ethyl 3-oxo-4-methylvalerate, KSC489S2R, SCHEMBL182126, Ethyl 4-Methyl-3-oxovalerate, AC1L31N1, ethyl 4-methyl-3-oxo-valerate, CTK3I9928, ethyl 4-methyl-3-oxo-pentanoate, DTXSID00221758, Ethyl .alpha. -isobutyroylacetate, ethyl 3-isopropyl-3-oxopropanoate, 3-Oxo-4-methylpentanoic acid ethyl, ethyl 3-isopropyl-3-oxo-propionate, KS-000001UY, NSC62029, ZINC1690966, ANW-36059, NSC-62029, STL185655, AKOS005206743, DS-1297, ETHYL-3-OXO-4-METHYLPENTANOATE, MCULE-2726168382, RP22183, RTC-030663, VZ29389, 4-Methyl-3-oxovaleric Acid Ethyl Ester, 3-keto-4-methyl valeric acid ethyl ester, 4-methyl-3-oxopentanoic acid ethyl ester, AJ-30081, AK-73120, BC211407, BR-73120, CJ-06481, CJ-28143, SC-12629, AB0010142, DB-006869, ST2413009, TC-030663, 4CH-014423, E0882, FT-0600784, M-3047, Ethyl isobutyrylacetate, purum, >=95.0% (GC), PENTANOIC ACID,4-METHYL,3-OXO,ETHYL ESTER, J-521260, S14-0996, InChI=1/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H, Ethylisobutyrylacetate, Valeric acid, ethyl ester, Pentanoic acid, ethyl ester, C8H14O3, Ethyl-3-oxo-4-methyl pentanoate, CID81583, AR-1I9766, C8-H14-O3, Ethyl isobutyrylacetate, 98% - 25G 25g, 7428-39-9,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 3272

Certificate of Analysis

Lot Number