2-(oct-7-en-1-yl)oxirane

• ChemBase ID: 146291
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C=CCCCCCCC1CO1
• Canonical SMILES: C=CCCCCCCC1CO1
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
• InChIKey: FCZHJHKCOZGQJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oct-7-en-1-yl)oxirane
• IUPAC Traditional name: 2-(oct-7-en-1-yl)oxirane
• Synonyms: 1,9-Decadiene monoepoxide; (7-Octenyl)oxirane; 1,2-Epoxy-9-decene; (7-辛烯基)环氧乙烷; 1,2-环氧-9-癸烯

Database IDs

• CAS Number: 85721-25-1
• EC Number: 288-437-5
• MDL Number: MFCD00069427
• Beilstein Number: 4305759
• PubChem SID: 24865706; 162240489
• PubChem CID: 543758

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.2555459
• Log P: 3.2555459
• Molar Refractivity: 47.6364 cm^3
• Polarizability: 18.884768 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2555459

PROPERTIES

Physical Property

• Boiling Point: 212°C
• Flash Point: 172.4 °F; 78 °C; 78°C(172°F)
• Density: 0.842; 0.842 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; n20/D 1.442(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-36; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H318-H315-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H18O

DETAILS

Sigma Aldrich - 410829

Packaging
25 mL in glass bottle