2-Pentanone, 4-methyl-1,1,1,3,3-d5-

Base Information

• Chemical Name: 2-Pentanone, 4-methyl-1,1,1,3,3-d5-
• CAS No.: 4840-81-7
• Molecular Formula: C6H7 D5 O
• Molecular Weight: 105.19
• European Community (EC) Number: 687-200-7
• DSSTox Substance ID: DTXSID60197521
• Nikkaji Number: J1.721.708I
• Wikidata: Q83070362
• Mol file: 4840-81-7.mol

Synonyms:4840-81-7;4-Methyl-2-pentanone-1,1,1,3,3-d5;2-Pentanone, 4-methyl-1,1,1,3,3-d5-;1,1,1,3,3-pentadeuterio-4-methylpentan-2-one;DTXSID60197521;4-Methylpentan-2-one-1,1,1,3,3-d5;A935628;4-Methyl-2-pentanone-1,1,1,3,3-d5, 98 atom % D

Chemical Property of 2-Pentanone, 4-methyl-1,1,1,3,3-d5-

Chemical Property:

• Vapor Pressure: 18.2mmHg at 25°C
• Melting Point: −80 °C(lit.)
• Refractive Index: n20/D 1.396(lit.)
• Boiling Point: 117-118 °C(lit.)
• Flash Point: 13.3°C
• PSA: 17.07000
• Density: 0.841g/cm³
• LogP: 1.62150
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 105.120198732
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-2-pentanone-d5 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36/37/38-36/37-20
• Safety Statements: 16-26-33-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)C
• Isomeric SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])C(C)C

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