2-decyloxirane

• ChemBase ID: 122862
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: O1CC1CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCC1OC1
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
• InChIKey: MPGABYXKKCLIRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-decyloxirane
• IUPAC Traditional name: 2-decyloxirane
• Synonyms: 1-Dodecene oxide; Decenoxirane; 1,2-Epoxydodecane; 2-decyloxirane; 1-十二烯氧化物; 环氧十二烷; 1,2-环氧十二烷

Database IDs

• CAS Number: 2855-19-8
• EC Number: 220-667-3
• MDL Number: MFCD00005150
• Beilstein Number: 105569
• PubChem SID: 162217215; 24855726
• PubChem CID: 17858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4486713
• LogD (pH = 7.4): 4.4486713
• Log P: 4.4486713
• Molar Refractivity: 56.7943 cm^3
• Polarizability: 22.812204 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 121-122°C/12mm; 124-125 °C/15 mmHg(lit.)
• Flash Point: 104 °C; 105°C(221°F); 219.2 °F
• Density: 0.840; 0.844 g/mL at 25 °C(lit.)
• Refractive Index: 1.4360; n20/D 1.436(lit.)
• Vapor Pressure: 2 mmHg ( 100 °C)

Safety Information

• RTECS: JR2450000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 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: 90%; 95%
• Empirical Formula (Hill Notation): C12H24O

DETAILS

Sigma Aldrich - 260207

Packaging
25, 100 g in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 260207.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.