AG003Q4H

1522-46-9 | Ethyl 2-acetyl-3-methylbutanoate

AG003Q4H

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CAS Number	1522-46-9
Catalog Number	AG003Q4H(AGN-PC-04VXOI)
Chemical Name	Ethyl 2-acetyl-3-methylbutanoate
EC Number	216-192-6
IUPAC Name	ethyl 2-acetyl-3-methylbutanoate
InChI	InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
InChI Key	DMIFFKCVURTPTG-UHFFFAOYSA-N
MDL Number	MFCD00042884
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	CCOC(=O)C(C(C)C)C(C)=O
Synonyms	Ethyl 2-acetyl-3-methylbutanoate, 1522-46-9, Ethyl 2-isopropylacetoacetate, 2-Isopropylacetoacetic acid ethyl ester, Ethyl 2-iso-propylacetoacetate, Butanoic acid, 2-acetyl-3-methyl-, ethyl ester, Ethyl alpha-isopropylacetoacetate, Ethyl 2-acetyl-3-methylbutyrate, Acetoacetic acid, 2-isopropyl-, ethyl ester, DMIFFKCVURTPTG-UHFFFAOYSA-N, Ethyl .alpha.-isopropylacetoacetate, EINECS 216-192-6, NSC 18754, NSC 25315, NSC 54978, AI3-11197, ethyl isopropylaceto-acetate, AC1L3UK6, AC1Q31ZT, AC1Q5C1D, ACMC-1C35S, ghl.PD_Mitscher_leg0.994, SCHEMBL1919905, CTK4C7377, KS-00000ZDQ, ethyl 2-acetyl-3-methyl-butanoate, Ethyl 2- acetyl-3-methylbutanoate, NSC18754, NSC25315, NSC54978, 7635AA, ANW-71441, MFCD00042884, NSC-18754, NSC-25315, NSC-54978, NSC241511, STL185654, AKOS009157668, FS-4240, MCULE-2928437755, NE10984, NSC-241511, QC-7546, AN-49377, SC-93071, 2-Acetyl-3-methylbutyric Acid Ethyl Ester, 2-acetyl-3-methyl-butyric acid ethyl ester, DB-063938, TC-160186, E1119, FT-0652418, ST24030481, EN300-65034, ETHYL-alpha-ISOPROPYLACETOACETATE, PRACT, Butanoic acid,2-acetyl-3-methyl-, ethyl ester, Acetoacetic acid, 2-isopropyl-, ethyl ester (8CI), J-008907, S14-1408, Ethyl 2-isopropylacetoacetate, technical, >=90% (GC), Butanoic acid, ethyl ester, Ethyl2-isopropylacetoacetate, acetoacetic acid, ethyl ester, C9H16O3, CID95544, AR-1I8251, C9-H16-O3, ACN-043584, 152548-74-8, 15467-25-1,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number