AG003QEG

3249-68-1 | ETHYL BUTYRYLACETATE

AG003QEG

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CAS Number	3249-68-1
Catalog Number	AG003QEG(AGN-PC-0JOE5X)
Chemical Name	ETHYL BUTYRYLACETATE
EC Number	221-835-9
FEMA Number	3683
IUPAC Name	ethyl 3-oxohexanoate
InChI	InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChI Key	KQWWVLVLVYYYDT-UHFFFAOYSA-N
MDL Number	MFCD00021637
Molecular Formula	C8H14O3
Molecular Weight	158.1950
NSC Number	42868
SMILES	CCCC(=O)CC(=O)OCC
UNII	8Q1AHG710E
Synonyms	Ethyl 3-oxohexanoate, Ethyl butyrylacetate, 3249-68-1, Ethyl butyroacetate, Hexanoic acid, 3-oxo-, ethyl ester, Ethyl beta-ketohexanoate, Ethyl alpha-butyrylacetate, 3-Ketohexanoic Acid Ethyl Ester, ETHYL-3-OXOHEXANOATE, UNII-8Q1AHG710E, Ethyl .alpha.-butyrylacetate, FEMA No. 3683, Ethyl 3-Ketohexanoate, EINECS 221-835-9, AI3-23360, 8Q1AHG710E, 3-Oxohexanoic Acid Ethyl Ester, 3-oxo-hexanoic acid ethyl ester, KQWWVLVLVYYYDT-UHFFFAOYSA-N, 3-Keto-n-hexanoic acid ethyl ester, MFCD00009401, Ethyl butyrylacetate, 98%, ethyl butrylacetate, ethyl3-oxohexanoate, Erhyl butyrylacetate, Ethyl 3-oxocaproate, Ethyl butanoylacetate, ethyl 3-oxo-caproate, Ethyl 3-oxo-hexanoate, ACMC-209hti, AC1Q2UFI, ethyl 3-keto-n-hexanoate, Ethyl alpha -butyrylacetate, SCHEMBL21832, Ethyl 3-oxohexanoate, 98%, KSC489Q8L, Butyrylacetic acid ethyl ester, AC1L614N, AC1Q5H57, 3-oxo-hexanoic-acid ethyl ester, Ethyl 3-oxohexanoate, >=98%, CHEBI:18119, CTK3I9885, FEMA 3683, KQWWVLVLVYYYDT-UHFFFAOYSA-, DTXSID00186217, BB_SC-11237, KS-00000BF8, NSC42868, STR02918, ZINC5977893, ZX-AT007331, ANW-27364, BBL027758, NSC-42868, SBB061679, STL185596, AKOS000121353, MCULE-5166823353, OR28623, RTR-033104, VZ36022, TRA-0183699, AK208797, AN-18936, BP-12706, CC-28118, CJ-12834, H391, LS-75355, DB-013157, TR-033104, FT-0616296, K0030, ST50308290, C02975, C-28004, J-018761, F0001-0965, InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3, ethylbutyrylacetate, Ethyl butyryl acetate, Hexanoic acid, ethyl ester, C8H14O3, AR-1I8911, C8-H14-O3, CID238498, Ethyl butyrylacetate, 98% - 25G 25g, 37456-31-8,

Complexity	140
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	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H301
Packing Group	Ⅲ
Precautionary statements	P210e-P280a-P301+P310a-P403+P235-P405-P501a
UN Code	UN 1993

Certificate of Analysis

Lot Number