(2H10)cyclohex-1-ene

• ChemBase ID: 145421
• Molecular Formular: C6H10
• Molecular Mass: 82.1436
• Monoisotopic Mass: 82.07825032
• SMILES: C1=CCCCC1
• Canonical SMILES: C1CCC=CC1
• InChI: InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
• InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₀)cyclohex-1-ene
• IUPAC Traditional name: (^2H₁₀)cyclohex-1-ene
• Synonyms: Cyclohexene-d10; 环己烯-d10

Database IDs

• CAS Number: 16035-50-0
• MDL Number: MFCD00190412
• PubChem SID: 24871683; 162239627
• PubChem CID: 16213229

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3054903
• LogD (pH = 7.4): 2.3054903
• Log P: 2.3054903
• Molar Refractivity: 28.7226 cm^3
• Polarizability: 10.853355 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -104 °C(lit.)
• Boiling Point: 83 °C(lit.)
• Flash Point: 10.4 °F; -12 °C
• Density: 0.908 g/mL at 25 °C
• Refractive Index: n20/D 1.442(lit.)
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2256
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-21/22
• Safety Statements: 16-29-33-36/37
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H311
• GHS Precautionary statements: P210-P280-P312
• RID/ADR: UN 2256 3/PG 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 92.01 by atom % calculation
• Empirical Formula (Hill Notation): C6D10

DETAILS

Sigma Aldrich - 480452

Packaging
5 g in ampule
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.