AG003QP8

4166-20-5 | 2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate

AG003QP8

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CAS Number	4166-20-5
Catalog Number	AG003QP8(AGN-PC-0JL4EO)
Chemical Name	2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate
FEMA Number	3797
IUPAC Name	(2,5-dimethyl-4-oxofuran-3-yl) acetate
InChI	InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3
InChI Key	VPKIUOQJQJVLRW-UHFFFAOYSA-N
MDL Number	MFCD00799462
Molecular Formula	C8H10O4
Molecular Weight	170.1626
SMILES	CC(OC1=C(C)OC(C)C1=O)=O
Synonyms	4166-20-5, Furaneol acetate, 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate, 4-ACETOXY-2,5-DIMETHYL-3(2H)-FURANONE, 4-Acetoxy-2,5-dimethyl-3(2H)furanone, 4-Acetoxy-2.5-dimethyl-3(2H)-furanone, 3(2H)-Furanone, 4-(acetyloxy)-2,5-dimethyl-, 4-(Acetyloxy)-2,5-dimethyl-3(2H)-furanone, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone acetate, 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, acetate, AK109081, (2,5-dimethyl-4-oxofuran-3-yl) acetate, Caramel acetate, Fraision Acetate, Strawberry acetate, PubChem6958, 4-Acetoxy-2,5-dimethylfuran-3(2H)-one, strawberry furanone acetate, SCHEMBL756061, AC1L1V13, CTK3J0260, FEMA 3797, KS-00000FAQ, VPKIUOQJQJVLRW-UHFFFAOYSA-N, ANW-73071, MFCD00799462, AKOS015895941, AKOS025243320, ACM4166205, DS-4145, FCH1117321, MCULE-2488369355, TRA0072513, VZ28138, (2,5-dimethyl-4-oxo-3-furyl) acetate, AN-18853, TC-161816, 2,5-dimethyl-4-oxo-3-5-hydrofuryl acetate, FT-0623449, ST24027347, ST50405803, 66F205, 2,5-Dimethyl-4-oxo-4,5-dihydrofur-3-yl acetate, C-05238, 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Acetate, I06-1219, 4-Acetoxy-2,5-dimethyl-3(2H)furanone, >=95%, FG, Acetic Acid 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Ester, 4-Acetoxy-2,5-dimethyl-3(2H)furanone, natural (US), >=95%, FG, Not Available, UNII-2GV7TTS87D, 2GV7TTS87D, C8H10O4, CID61334, C8-H10-O4, ZINC01850839, P030, A2192, 2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-ylacetate, 4-Acetoxy-2,5-dimethyl-3(2H)-furanone, 98% - 25G 25g,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.164g/mol
Monoisotopic Mass	170.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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