(2H4)ethane

• ChemBase ID: 136797
• Molecular Formular: C2H6
• Molecular Mass: 30.06904
• Monoisotopic Mass: 30.04695019
• SMILES: CC
• Canonical SMILES: CC
• InChI: InChI=1S/C2H6/c1-2/h1-2H3
• InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)ethane
• IUPAC Traditional name: (^2H₄)ethane
• Synonyms: Ethane-1,1,2,2-d4; 乙烷-1,1,2,2-d4

Database IDs

• CAS Number: 3681-29-6
• MDL Number: MFCD01075430
• PubChem SID: 24872106; 162231066
• PubChem CID: 15244547

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

• Apperance: gas
• Melting Point: -172 °C(lit.)
• Boiling Point: -88 °C(lit.)
• Flash Point: -135 °C; -211 °F
• Vapor Pressure: 37.95 mmHg ( 21.1 °C)
• Vapor Density: 1.05 (vs air)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1035
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 16
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403
• RID/ADR: UN 1035 2.1

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: HCD2CD2H

DETAILS

Sigma Aldrich - 485624

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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Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z512966 and Z512974 is recommended.