(2H8)propane

• ChemBase ID: 148221
• Molecular Formular: C3H8
• Molecular Mass: 44.09562
• Monoisotopic Mass: 44.06260026
• SMILES: CCC
• Canonical SMILES: CCC
• InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
• InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₈)propane
• IUPAC Traditional name: (^2H₈)propane
• Synonyms: Propane-d8; 丙烷-d8

Database IDs

• CAS Number: 2875-94-7
• MDL Number: MFCD00084174
• PubChem SID: 162242397; 24872581
• PubChem CID: 137750

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.797432
• LogD (pH = 7.4): 1.797432
• Log P: 1.797432
• Molar Refractivity: 15.6052 cm^3
• Polarizability: 6.2897286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -188 °C(lit.)
• Boiling Point: -42.1 °C(lit.)
• Vapor Pressure: 8.42 atm ( 21.1 °C)
• Vapor Density: 1.5 (vs air)
• Mass Shift: M+8

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1978
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 1978 2.1

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: CD3CD2CD3

DETAILS

Sigma Aldrich - 490601

Packaging
1 L in steel cylinder
Lecture bottle with brass CGA 110/180 valve
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 or Z187224