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10599-70-9,MFCD00010281
Catalog No.:AA003IQB
10599-70-9 | 1-(2,5-Dimethylfuran-3-yl)ethanone
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Purity
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1g
95%
in stock  
$46.00   $32.00
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5g
95%
in stock  
$100.00   $70.00
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25g
95%
in stock  
$260.00   $182.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IQB
Chemical Name:
1-(2,5-Dimethylfuran-3-yl)ethanone
CAS Number:
10599-70-9
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD00010281
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
SMILES:
Cc1oc(c(c1)C(=O)C)C
EC Number:
234-216-3
UNII:
798V2T7ZBV
NSC Number:
504254
FEMA Number:
3391
Properties
Computed Properties
 
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  

Synonyms
 
3-Acetyl-2,5-dimethylfuran 
10599-70-9 
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-dimethylfuran-3-yl)ethanone 
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 
Ethanone, 1-(2,5-dimethyl-3-furanyl)- 
SCHEMBL873084 
ACMC-2098i7 
Jsp000555 
CHEMBL1894194 
DTXSID1030317 
CTK3J5651 
FEMA 3391 
KS-000016GV 
ZINC1602945 
Tox21_200275 
3-Acetyl-2,5-dimethyl furan 
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 
2,5-Dimethyl-3-acetylfuran 
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 
1-(2,5-Dimethyl-3-furyl)ethan-1-one 
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 
2,5-Dimethyl-3-furyl methyl ketone 
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 
1-(2,5-Dimethyl-3-furanyl)ethanone 
1-(2,5-Dimethyl-3-furyl)ethanone 
Literature

Title: (3Z,3'Z)-3,3'-(3,5-Dimethyl-furan-2,4-diyl)bis-(4-hy-droxy-pent-3-en-2-one).

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: Evaluation of certain food additives and contaminants.

Journal: World Health Organization technical report series 20070101

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