Cas no 5467-42-5 (2,2,4,6,6-pentamethylheptane-3,5-dione)

2,2,4,6,6-pentamethylheptane-3,5-dione structure
5467-42-5 structure
Product Name:2,2,4,6,6-pentamethylheptane-3,5-dione
CAS No:5467-42-5
MF:C12H22O2
MW:198.301884174347
CID:942490
PubChem ID:231586
Update Time:2025-04-19

2,2,4,6,6-pentamethylheptane-3,5-dione Chemical and Physical Properties

Names and Identifiers

    • 2,2,4,6,6-pentamethylheptane-3,5-dione
    • 2,2,4,6,6-Pentamethyl-3,5-heptanedione
    • 2,2,4,6,6-Pentamethyl-heptan-3,5-dion
    • 2,2,4,6,6-pentamethyl-heptane-3,5-dione
    • AC1L5M0T
    • AC1Q5BZ9
    • AG-J-32083
    • AR-1D0645
    • CTK1H3723
    • NSC28031
    • NSC-28031
    • 2,2,4,6,6-Pentamethyl-3,5-heptanedione #
    • AKOS024339839
    • 5467-42-5
    • SCHEMBL1397144
    • 3,5-Heptanedione, 2,2,4,6,6-pentamethyl-
    • DTXSID50282798
    • EN300-1127419
    • Inchi： 1S/C12H22O2/c1-8(9(13)11(2,3)4)10(14)12(5,6)7/h8H,1-7H3
    • InChI Key： WMZURKKTJQPBOJ-UHFFFAOYSA-N
    • SMILES： O=C(C(C)C(C(C)(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 198.16206
  • Monoisotopic Mass: 198.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 0.895
  • Boiling Point: 254.1°C at 760 mmHg
  • Flash Point: 93.6°C
  • Refractive Index: 1.433
  • PSA: 34.14
  • LogP: 2.85290

2,2,4,6,6-pentamethylheptane-3,5-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1127419-0.05g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
0.05g
 $587.0 2023-10-26
Enamine
EN300-1127419-0.1g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
0.1g
 $615.0 2023-10-26
Enamine
EN300-1127419-0.25g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
0.25g
 $642.0 2023-10-26
Enamine
EN300-1127419-0.5g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
0.5g
 $671.0 2023-10-26
Enamine
EN300-1127419-1.0g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5
1g
 $884.0 2023-05-25
Enamine
EN300-1127419-2.5g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
2.5g
 $1370.0 2023-10-26
Enamine
EN300-1127419-5.0g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5
5g
 $2566.0 2023-05-25
Enamine
EN300-1127419-10.0g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5
10g
 $3807.0 2023-05-25
Enamine
EN300-1127419-1g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
1g
 $699.0 2023-10-26
Enamine
EN300-1127419-5g
2,2,4,6,6-pentamethylheptane-3,5-dione
 5467-42-5 95%
5g
 $2028.0 2023-10-26

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