AG003IT3

10599-70-9 | 1-(2,5-Dimethylfuran-3-yl)ethanone

AG003IT3

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CAS Number	10599-70-9
Catalog Number	AG003IT3(AGN-PC-0JL4IU)
Chemical Name	1-(2,5-Dimethylfuran-3-yl)ethanone
EC Number	234-216-3
FEMA Number	3391
IUPAC Name	1-(2,5-dimethylfuran-3-yl)ethanone
InChI	InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChI Key	KBSVBCHYXYXDAG-UHFFFAOYSA-N
MDL Number	MFCD00010281
Molecular Formula	C8H10O2
Molecular Weight	138.1638
NSC Number	504254
SMILES	CC(C1=C(C)OC(C)=C1)=O
UNII	798V2T7ZBV
Synonyms	3-Acetyl-2,5-dimethylfuran, 10599-70-9, 1-(2,5-dimethylfuran-3-yl)ethanone, Ethanone, 1-(2,5-dimethyl-3-furanyl)-, 3-Acetyl-2,5-dimethyl furan, 2,5-Dimethyl-3-acetylfuran, 1-(2,5-Dimethyl-3-furyl)ethan-1-one, 2,5-Dimethyl-3-furyl methyl ketone, 1-(2,5-Dimethyl-3-furanyl)ethanone, 1-(2,5-Dimethyl-3-furyl)ethanone, UNII-798V2T7ZBV, Ketone, 2,5-dimethyl-3-furyl methyl, FEMA No. 3391, EINECS 234-216-3, 3-Acetyl-2-5-dimethylfuran, 1-(2,5-dimethylfuran-3-yl)ethan-1-one, 798V2T7ZBV, Furan, 3-acetyl-2,5-dimethyl, KBSVBCHYXYXDAG-UHFFFAOYSA-N, MFCD00010281, 1-(2,5-dimethyl-furan-3-yl)-ethanone, NSC504254, PubChem6964, AC1Q1JEH, AC1Q1JEI, AC1L1VF5, DSSTox_CID_10317, DSSTox_RID_78843, 3-acetyl 2.5-dimethylfuran, DSSTox_GSID_30317, SCHEMBL873084, ACMC-2098i7, Jsp000555, CHEMBL1894194, DTXSID1030317, CTK3J5651, FEMA 3391, KS-000016GV, ZINC1602945, Tox21_200275, 3-Acetyl-2,5-dimethylfuran, 98%, ANW-15293, SBB067074, AKOS009031202, NE10681, NSC-504254, VZ26215, 1-(2,5-Dimethyl-3-furanyl)-Ethanone, 1-(2,5-Dimethyl-3-furyl)ethanone #, NCGC00091361-01, NCGC00091361-02, NCGC00257829-01, 3-ACETYL-2,5-DIMETHYL FURAN FCC, AJ-28048, CJ-25806, U092, 2,5-Dimethyl-3-furyl methyl ketone, 8CI, CAS-10599-70-9, DB-022155, LS-178723, RT-002623, ST2414931, 1-(2,5-Dimethyl-3-furanyl)ethanone, 9CI, FT-0614877, EN300-20898, 3-Acetyl-2,5-dimethylfuran, >=99%, FCC, FG, A801352, I14-1023, W-108776, I14-21968, I14-23376, InChI=1/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H, C8H10O2, Furan, 3-acetyl-2,5-dimethyl-, CID61527, C8-H10-O2, Etanona, 1-(2,5-dimetil-3-furanil)-, A1121,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.166g/mol
Monoisotopic Mass	138.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number