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13494-06-9,MFCD00143063
Catalog No.:AA003IFN
13494-06-9 | 3,4-Dimethylcyclopentane-1,2-dione
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Purity
Availability
Price(USD)
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1g
98%
in stock  
$81.00   $57.00
- +
5g
98%
in stock  
$197.00   $138.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IFN
Chemical Name:
3,4-Dimethylcyclopentane-1,2-dione
CAS Number:
13494-06-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00143063
IUPAC Name:
3,4-dimethylcyclopentane-1,2-dione
InChI:
InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3
InChI Key:
WGAVDEVFJDQIMZ-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C(=O)C1C
EC Number:
236-810-8
FEMA Number:
3268
Properties
Computed Properties
 
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
3,4-Dimethyl-1,2-cyclopentanedione 
13494-06-9 
Caramel Pentadione 
3,4-Dimethyl 1,2-cyclopentandione 
ACMC-209bxe 
AC1L1VMH 
SCHEMBL872975 
Jsp002125 
DTXSID2051689 
CTK4B9558 
FEMA 3268 
WGAVDEVFJDQIMZ-UHFFFAOYSA-N 
3,4-Dimethylcyclopentane-1,2-dione 
KS-00000Z6E 
ANW-19728 
CD-990 
MFCD00143063 
AKOS015917414 
DS-9209 
FCH1117397 
LS-2678 
OR70301 
TRA0127693 
3,4-Dimethyl-1,2-cyclopentadione 
AN-18442 
R430 
3,4-Dimethyl-1,2-cyclopentanedione, 97% 
RT-004628 
D3782 
FT-0696511 
3,4-Dimethyl-1,2-cyclopentadione, >=97%, FG 
494D069 
I14-9761 
Bis(glycinato)copper 
1,2-Cyclopentanedione, 3,4-dimethyl- 
UNII-50AIF51OCI 
50AIF51OCI 
C7H10O2 
CID61633 
3 4-Dimethyl-1 2-cyclopentanedione 
C7-H10-O2 
ZINC01850694 
1,2-ciclopentanodiona, 3,4-dimetil- 
3,4 - dimethylcyclopentane - 1,2 - dione 
2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one 
FEMA No. 3268 
3,4-Dimethyl-1,2-cyclopentanedione, 98% - 1G 1g 
475102-11-5 
EINECS 236-810-8 
1,2-Cyclopentanedione,3,4-dimethyl- 
AK167007 
W-108276 
Literature

Title: Fragrance material review on 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001

Title: Improvement in the detection of impurities affecting ethylene glycol UV transmittance by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20021227

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