AG003NN3

Name: 3-Methylbutyl 3-oxobutanoate
Brand: Angene Chemical
SKU: AG003NN3

2308-18-1 | 3-Methylbutyl 3-oxobutanoate

AG003NN3

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COA

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CAS Number	2308-18-1
Catalog Number	AG003NN3(AGN-PC-0JL4DR)
Chemical Name	3-Methylbutyl 3-oxobutanoate
EC Number	218-991-5
FEMA Number	3551
IUPAC Name	3-methylbutyl 3-oxobutanoate
InChI	InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChI Key	XHRGPLDMNNGHCX-UHFFFAOYSA-N
MDL Number	MFCD00059355
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	CC(C)CCOC(=O)CC(=O)C
UNII	4QVH533ZIY
Synonyms	Isoamyl acetoacetate, 2308-18-1, Isopentyl 3-oxobutanoate, Acetoacetic acid isoamyl ester, Isopentyl acetoacetate, 3-Methylbutyl 3-oxobutanoate, Isoamyl acetylacetate, Isoamyl 3-oxobutanoate, Isoamyl beta-ketobutyrate, 3-Methylbutyl acetoacetate, Isopentyl beta-ketobutyrate, UNII-4QVH533ZIY, Butanoic acid, 3-oxo-, 3-methylbutyl ester, 3-Methylbutyl beta-ketobutyrate, Acetoacetic acid, isopentyl ester, 4QVH533ZIY, XHRGPLDMNNGHCX-UHFFFAOYSA-N, FEMA No. 3551, IsoamylAcetoacetate, EINECS 218-991-5, ACMC-1CNBQ, AC1L1UY6, Isoamyl .beta.-ketobutyrate, Isopentyl 3-oxobutanoate #, Isoamyl acetoacetate; >97%, Isopentyl .beta.-ketobutyrate, SCHEMBL1171910, CTK4F0852, FEMA 3551, DTXSID80177648, ZINC1850874, ANW-25039, MFCD00059355, AKOS025294952, ACM2308181, KS-000014E4, Butanoic acid,3-oxo-,3-methylbutyl ester, CJ-30538, TC-113784, A0812, FT-0693421, C-46551, CID61296, C9-H16-O3,

Complexity	161
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	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited