dicyclohexyl(ethyl)phosphane

• ChemBase ID: 136098
• Molecular Formular: C14H27P
• Molecular Mass: 226.337941
• Monoisotopic Mass: 226.18503749
• SMILES: CCP(C1CCCCC1)C1CCCCC1
• Canonical SMILES: CCP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C14H27P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
• InChIKey: DPOGTJDEMBEUSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(ethyl)phosphane
• IUPAC Traditional name: dicyclohexyl(ethyl)phosphane
• Synonyms: Dicyclohexyl(ethyl)phosphine; 二环己基(乙基)膦

Database IDs

• CAS Number: 46392-44-3
• MDL Number: MFCD11656161
• PubChem SID: 162230369
• PubChem CID: 17909966

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.593159
• LogD (pH = 7.4): 3.59429
• Log P: 4.035
• Molar Refractivity: 73.6804 cm^3
• Polarizability: 27.803328 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.945 g/mL at 25 °C
• Refractive Index: n20/D 1.518

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-36/37/38
• Safety Statements: 6-16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H315-H319-H335-H413
• GHS Precautionary statements: P222-P231-P261-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Empirical Formula (Hill Notation): C14H27P

DETAILS

Sigma Aldrich - 695920

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for synthesis of lactones1Reactant for hydrogen bonding with benzyl alcohol2