(4R)-4-methyl-1,3-dioxolan-2-one

• ChemBase ID: 120174
• Molecular Formular: C4H6O3
• Molecular Mass: 102.08864
• Monoisotopic Mass: 102.03169405
• SMILES: C1(=O)O[C@@H](CO1)C
• Canonical SMILES: C[C@@H]1COC(=O)O1
• InChI: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1
• InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-methyl-1,3-dioxolan-2-one
• IUPAC Traditional name: (4R)-4-methyl-1,3-dioxolan-2-one
• Synonyms: (R)-4-methyl-1,3-dioxolan-2-one; (R)-1,2-Propanediol cyclic carbonate; (R)-(+)-Propylene carbonate; (R)-(+)-1,2-Propylene Carbonate; (+)-(4R)-4-methyl-1,3-dioxolan-2-one; (+)-Carbonic Acid Cyclic Propylene Ester; (R)-1,2-Propylene Carbonate; (R)-1,2-丙二醇碳酸酯; (R)-(+)-碳酸丙烯酯

Database IDs

• CAS Number: 16606-55-6
• MDL Number: MFCD00798265
• PubChem SID: 24878432; 162214527
• PubChem CID: 641813

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: Chlloroform; Dichloromethane; Ethanol; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid
• Boiling Point: 115-116°C/Oil Pump; 240 °C(lit.)
• Flash Point: 132 °C; 269.6 °F
• Density: 1.189 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.422(lit.)
• Vapor Pressure: 0.59 psi ( 20 °C)
• Optical Rotation: [α]20/D +2°, neat

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: 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

Product Information

• Purity: 95+%; 98%
• Optical Purity: ee: 95% (GLC)
• Empirical Formula (Hill Notation): C4H6O3

DETAILS

Sigma Aldrich - 540013

Packaging
5, 25 g in glass bottle
Legal Information
Manufactured under license by Shasun Chemicals and Drugs Limited, using Jacobsen HKR technology.