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

• ChemBase ID: 148498
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C=CCCCCCC[C@@H]1CO1
• Canonical SMILES: C=CCCCCCC[C@@H]1CO1
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2/t10-/m1/s1
• InChIKey: FCZHJHKCOZGQJZ-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(oct-7-en-1-yl)oxirane
• IUPAC Traditional name: (2R)-2-(oct-7-en-1-yl)oxirane
• Synonyms: (R)-(+)-1,2-Epoxy-9-decene; (R)-(+)-1,2-环氧-9-癸烯

Database IDs

• CAS Number: 137310-67-9
• MDL Number: MFCD00798320
• PubChem SID: 162242673; 24871353
• PubChem CID: 7018005

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2555459
• 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

PROPERTIES

Physical Property

• Boiling Point: 39.5-40.5 °C/0.3 mmHg(lit.)
• Flash Point: 190.4 °F; 88 °C
• Density: 0.86 g/mL at 25 °C(lit.)
• Optical Rotation: [α]25/D +13°, neat

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H18O

DETAILS

Sigma Aldrich - 477281

Packaging
100 mg in glass bottle