1,4-diethoxybutane

• ChemBase ID: 296061
• Molecular Formular: C8H18O2
• Molecular Mass: 146.22732
• Monoisotopic Mass: 146.13067982
• SMILES: CCOCCCCOCC
• Canonical SMILES: CCOCCCCOCC
• InChI: InChI=1S/C8H18O2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3
• InChIKey: IIHAWQOFHTYWGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethoxybutane
• IUPAC Traditional name: 1,4-diethoxybutane
• Synonyms: 1,4-Butanediol diethyl ether; 1,4-Diethoxybutane; 1,4-二乙氧基丁烷

Database IDs

• CAS Number: 13344-00-8
• MDL Number: MFCD00048581
• PubChem SID: 180681592
• PubChem CID: 232578

CALCULATED PROPERTIES

• Molar Refractivity: 43.0632 cm^3
• Polarizability: 16.847076 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3685123
• LogD (pH = 7.4): 1.3685123
• Log P: 1.3685123

PROPERTIES

Physical Property

• Boiling Point: 165°C
• Flash Point: 48°C(115°F)
• Density: 0.84
• Refractive Index: 1.4072

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%