bis(prop-2-en-1-yl) carbonate

• ChemBase ID: 146726
• Molecular Formular: C7H10O3
• Molecular Mass: 142.1525
• Monoisotopic Mass: 142.06299418
• SMILES: C=CCOC(=O)OCC=C
• Canonical SMILES: C=CCOC(=O)OCC=C
• InChI: InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
• InChIKey: JKJWYKGYGWOAHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(prop-2-en-1-yl) carbonate
• IUPAC Traditional name: diallyl carbonate
• Synonyms: Diallyl carbonate; 碳酸二烯丙酯

Database IDs

• CAS Number: 15022-08-9
• EC Number: 239-106-9
• MDL Number: MFCD00008645
• PubChem SID: 24856852; 162240918
• PubChem CID: 84764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0043392
• LogD (pH = 7.4): 2.0043392
• Log P: 2.0043392
• Molar Refractivity: 37.3618 cm^3
• Polarizability: 14.615205 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-97 °C/60 mmHg(lit.)
• Flash Point: 138.2 °F; 59 °C
• Density: 0.991 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Linear Formula: (H2C=CHCH2O)2CO

DETAILS

Sigma Aldrich - 281239

Packaging
5, 25 g in glass bottle