1-(ethenyloxy)-2-ethylhexane

• ChemBase ID: 151132
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCC(CC)COC=C
• Canonical SMILES: CCCCC(COC=C)CC
• InChI: InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3
• InChIKey: DSSAWHFZNWVJEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)-2-ethylhexane
• IUPAC Traditional name: vinyl 2-ethylhexyl ether
• Synonyms: 2-Ethylhexyl vinyl ether; 2-乙基己基乙烯基醚

Database IDs

• CAS Number: 103-44-6
• EC Number: 203-111-4
• MDL Number: MFCD00053800
• PubChem SID: 162245290; 24865679
• PubChem CID: 61004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6518016
• LogD (pH = 7.4): 3.6518016
• Log P: 3.6518016
• Molar Refractivity: 48.8529 cm^3
• Polarizability: 19.623877 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -85 °C(lit.)
• Boiling Point: 177-178 °C(lit.)
• Flash Point: 125.6 °F; 52 °C
• Density: 0.816 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)

Safety Information

• RTECS: KO0175000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-27
• Safety Statements: 28-36/37-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)3CH(C2H5)CH2OCH=CH2

DETAILS

Sigma Aldrich - 409944

Packaging
25 mL in glass bottle