(13C)ethane

• ChemBase ID: 138639
• Molecular Formular: C2H6
• Molecular Mass: 31.06169484
• Monoisotopic Mass: 31.05030503
• SMILES: C[13CH3]
• Canonical SMILES: [13CH3]C
• InChI: InChI=1S/C2H6/c1-2/h1-2H3/i1+1
• InChIKey: OTMSDBZUPAUEDD-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)ethane
• IUPAC Traditional name: (^1^3C)ethane
• Synonyms: Ethane-13C1; 乙烷-13C1

Database IDs

• CAS Number: 6145-17-1
• MDL Number: MFCD00083947
• PubChem SID: 24872759; 162232891
• PubChem CID: 12053733

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3528632
• LogD (pH = 7.4): 1.3528632
• Log P: 1.3528632
• Molar Refractivity: 11.0042 cm^3
• Polarizability: 4.4441743 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -172 °C(lit.)
• Boiling Point: -88 °C(lit.)
• Flash Point: -20 °C; -4 °F
• Auto Ignition Point: 881 °F
• Vapor Pressure: 37.95 atm ( 21.1 °C)
• Vapor Density: 1.05 (vs air)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1035
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 1035 2.1

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: CH313CH3

DETAILS

Sigma Aldrich - 492558

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
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