Acetic acid-1-13C

Base Information

• Chemical Name: Acetic acid-1-13C
• CAS No.: 63459-47-2
• Molecular Formula: C2D4O2
• Molecular Weight: 65.09
• European Community (EC) Number: 685-795-8,625-762-7
• UNII: 29JB6BU01H
• Nikkaji Number: J1.279.081C

Synonyms:Acetic acid-1-13C;1563-79-7;Acetic-1-13c acid;Acetic acid C-13;(1-13C)Acetic acid;UNII-29JB6BU01H;29JB6BU01H;ACETIC ACID-1-13C-D4;63459-47-2;Acetic acid (1-13C);MFCD00037366;AKOS015894017;Acetic acid-1-13C, 99 atom % 13C;J-009297;Q27254426

Chemical Property of Acetic acid-1-13C

Chemical Property:

• Vapor Pressure: 11.4 mm Hg ( 20 °C)
• Melting Point: 16.2 °C(lit.)
• Refractive Index: n20/D 1.3715(lit.)
• Boiling Point: 117-118 °C(lit.)
• Flash Point: 104 °F
• PSA: 37.30000
• Density: 1.136 g/mL at 25 °C
• LogP: 0.09090
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 61.024484201
• Heavy Atom Count: 4
• Complexity: 31

Purity/Quality:

98%,99%, ^*data from raw suppliers

AceticAcid-1-13C-2,2,2-d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-35
• Safety Statements: 16-26-36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O
• Isomeric SMILES: C[13C](=O)O
• Uses: ACETIC-1-13C-2-D3 ACID-1 H (D) is used in the technique for determining the concentration and 13C enrichment of acetate in biological fluids.

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