4-methyl-1,3-dioxolan-2-one

• ChemBase ID: 104561
• Molecular Formular: C4H6O3
• Molecular Mass: 102.08864
• Monoisotopic Mass: 102.03169405
• SMILES: CC1COC(=O)O1
• Canonical SMILES: CC1COC(=O)O1
• InChI: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
• InChIKey: RUOJZAUFBMNUDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-dioxolan-2-one
• IUPAC Traditional name: propylene carbonate; 1,2-propylene carbonate
• Synonyms: (R,S)-4-Methyl-1,3-dioxolan-2-one; Cyclic propylene carbonate; Carbonic acid propylene ester; Cyclic 1,2-propylene carbonate; Propylene glycol cyclic carbonate; 1,2-Propanediol carbonate; 4-Methyl-2-oxo-1,3-dioxolane; Arconate 5000; Texacar PC; Propylene carbonate; 4-Methyl-1,3-dioxolan-2-one; 1,2-Propanediol cyclic carbonate; PROPYLENE CARBONATE; PROPYLENE CARBONATE; 4-METHYL-1,3-DIOXOL-2-ONE; PROPYLENE CARBONATE, ANHYDROSOLV GRADE; 4-Methyl-1,3-dioxol-2-one; 1,2-丙二醇碳酸酯; 4-甲基-1,3-二氧戊环-2-酮; 碳酸丙烯酯; 碳酸丙二醇酯

Database IDs

• CAS Number: 108-32-7
• EC Number: 203-572-1
• MDL Number: MFCD00005385
• Beilstein Number: 107913
• PubChem SID: 24858788; 24887955; 24902011; 24865903; 24898613; 162091887
• PubChem CID: 7924
• Chemspider ID: 10609770
• Unique Ingredient Identifier: 8D08K3S51E
• Wikipedia Title: Propylene_carbonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.78688955
• LogD (pH = 7.4): 0.78688955
• Log P: 0.78688955
• Molar Refractivity: 21.4862 cm^3
• Polarizability: 8.946674 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in water
• Apperance: Colorless liquid
• Melting Point: -48.8 °C (-55.8 °F); -48.8°C; -49°C; -55 °C(lit.)
• Boiling Point: 240 °C(lit.); 240-243°C; 241.9 °C (467.4 °F); 241.9°C; 242°C
• Flash Point: 132 °C; 132°C; 132°C(270°F); 269.6 °F
• Auto Ignition Point: 455 °C; 510 °C (950 °F); 851 °F
• Density: 1.203-1.207 (water = 1); 1.203g/ml; 1.204; 1.204 g/mL at 25 °C(lit.); 1.205 g/cm^3
• Refractive Index: 1.4189; 1.4210; n20/D 1.421; n20/D 1.421(lit.); n20/D 1.422; n20/D 1.423
• Vapor Pressure: 0.03 mm Hg (0.004 kPa) at 20 °C; 0.13 mmHg ( 20 °C); 0.98 mmHg ( 50 °C)
• Vapor Density: 3.52 (air = 1)
• Absorption Wavelength: λ: 235 nm Amax: 1.00; λ: 280 nm Amax: 0.50; λ: 300 nm Amax: 0.30; λ: 350 nm Amax: 0.05; λ: 375-400 nm Amax: 0.01
• Organoleptic: spicy; minty; medicinal

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• RTECS: FF9650000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36; R:36; R36
• Safety Statements: S26 S36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: Xi
• NFPA704:
  

  1

  1

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• Explode Limits: 14.3 %
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313; 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: ≥99%; ≥99.0%; ≥99.0% (GC); 99%; 99.7%
• Grade: anhydrous; CHROMASOLV®; for HPLC; puriss.; purum; ReagentPlus®; Selectophore™
• Evaporation Residue: <0.0005%
• Impurities: <0.002% water; <0.005% water(100 mL pkg); <0.020% water; ≤0.01% water
• Quality: anhydrous
• λ: H2O reference
• Empirical Formula (Hill Notation): C4H6O3

DETAILS

MP Biomedicals - 05206537

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156415

1 ml = approx. 1.19 g

Sigma Aldrich - 82227

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

Sigma Aldrich - P52652

Packaging
21 kg in steel drum
500 g in poly bottle
3 kg in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 310328

Packaging
1, 2 L in Sure/Seal™
100, 500 mL in Sure/Seal™

Sigma Aldrich - 414220

Packaging
1, 2 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH