1-[1-(hexyloxy)ethoxy]hexane

• ChemBase ID: 295664
• Molecular Formular: C14H30O2
• Molecular Mass: 230.3868
• Monoisotopic Mass: 230.2245802
• SMILES: CCCCCCOC(C)OCCCCCC
• Canonical SMILES: CCCCCCOC(OCCCCCC)C
• InChI: InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
• InChIKey: VSFOOCQEJQKBSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(hexyloxy)ethoxy]hexane
• IUPAC Traditional name: 1-[1-(hexyloxy)ethoxy]hexane
• Synonyms: 1,1-Di-n-hexyloxyethane; Acetaldehyde di-n-hexyl acetal; 乙醛缩二己醇

Database IDs

• CAS Number: 5405-58-3
• EC Number: 226-458-3
• MDL Number: MFCD00051715
• PubChem SID: 180681195
• PubChem CID: 21503

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8432803
• LogD (pH = 7.4): 4.8432803
• Log P: 4.8432803
• Molar Refractivity: 69.859 cm^3
• Polarizability: 27.906876 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%