Decanoic acid-1,2-13C2

Base Information

• Chemical Name: Decanoic acid-1,2-13C2
• CAS No.: 287111-30-2
• Molecular Formula: C10H20O2
• Molecular Weight: 174.28
• European Community (EC) Number: 693-534-4
• DSSTox Substance ID: DTXSID00584355
• Wikidata: Q82476008
• Mol file: 287111-30-2.mol

Synonyms:Decanoic acid-1,2-13C2;287111-30-2;(1,2-13C2)Decanoic acid;DTXSID00584355;(1,2-~13~C_2_)Decanoic acid;Decanoic acid-1,2-13C2, 99 atom % 13C

Chemical Property of Decanoic acid-1,2-13C2

Chemical Property:

• Melting Point: 30-32 °C(lit.)
• Boiling Point: 268-270 °C(lit.)
• Flash Point: 110 °C
• PSA: 37.30000
• Density: 0.903 g/mL at 25 °C
• LogP: 3.21170
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.153039547
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

98% ^*data from raw suppliers

DecanoicAcid-1,2-13C2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCC[13CH2][13C](=O)O
• Uses: Labelled Decanoic Acid (D212525),(Decanoic Acid-1,2-13C2) Decanoic acid is used in manufacturing of esters for artificial fruit flavors and perfumes. Labelled Decanoic Acid (D212525). Decanoic acid is used in manufacturing of esters for artificial fruit flavors and perfumes.