2-methyl-1,3-dioxolane

• ChemBase ID: 149079
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: CC1OCCO1
• Canonical SMILES: CC1OCCO1
• InChI: InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
• InChIKey: HTWIZMNMTWYQRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,3-dioxolane
• IUPAC Traditional name: 1,3-dioxolane, 2-methyl-
• Synonyms: Acetaldehyde ethylene acetal; 2-Methyl-1,3-dioxolane; 乙醛乙二醇缩醛; 2-甲基-1,3-二氧戊环; 2-甲基-1,3-二恶茂烷

Database IDs

• CAS Number: 497-26-7
• EC Number: 207-841-4
• MDL Number: MFCD00003210
• Beilstein Number: 102520
• PubChem SID: 24857568; 24884792; 162243247
• PubChem CID: 10342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2456828
• LogD (pH = 7.4): 0.2456828
• Log P: 0.2456828
• Molar Refractivity: 21.7388 cm^3
• Polarizability: 8.785985 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-83°C; 82-83 °C(lit.)
• Flash Point: -2 °C; -2°C(28°F); 28.4 °F
• Density: 0.982; 0.982 g/mL at 25 °C(lit.)
• Refractive Index: 1.3980; n20/D 1.398; n20/D 1.398(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: JI3509000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36
• Safety Statements: 16-26; 9-16-26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P210-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 97%; 98%
• Grade: purum
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C4H8O2

DETAILS

Sigma Aldrich - 292206

Packaging
5, 25 g in glass bottle