(cyclohexyloxy)benzene

• ChemBase ID: 144946
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: c1ccc(cc1)OC1CCCCC1
• Canonical SMILES: C1CCC(CC1)Oc1ccccc1
• InChI: InChI=1S/C12H16O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
• InChIKey: OSAOIDIGMBDXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexyloxy)benzene
• IUPAC Traditional name: benzene, (cyclohexyloxy)-
• Synonyms: Cyclohexyl phenyl ether; 环己基苯醚

Database IDs

• CAS Number: 2206-38-4
• MDL Number: MFCD00144026
• PubChem SID: 162239158; 24878523
• PubChem CID: 137492

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.614845
• LogD (pH = 7.4): 3.614845
• Log P: 3.614845
• Molar Refractivity: 53.5354 cm^3
• Polarizability: 21.35035 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127-128 °C/15 mmHg(lit.)
• Flash Point: 18 °C; 64.4 °F
• Density: 1.078 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.525(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 9-16-26-33-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 95%
• Linear Formula: C6H5OC6H11

DETAILS

Sigma Aldrich - 541176

Packaging
5 g in glass bottle