1,2-dimethoxypropane

• ChemBase ID: 151227
• Molecular Formular: C5H12O2
• Molecular Mass: 104.14758
• Monoisotopic Mass: 104.08372962
• SMILES: CC(COC)OC
• Canonical SMILES: COCC(OC)C
• InChI: InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
• InChIKey: LEEANUDEDHYDTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethoxypropane
• IUPAC Traditional name: 1,2-dimethoxypropane
• Synonyms: Propylene glycol dimethyl ether; 1,2-Dimethoxypropane; 丙二醇二甲醚; 1,2-二甲氧基丙烷

Database IDs

• CAS Number: 7778-85-0
• EC Number: 404-630-0
• MDL Number: MFCD00010331
• PubChem SID: 24856985; 162245383
• PubChem CID: 24509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.49414894
• LogD (pH = 7.4): 0.49414894
• Log P: 0.49414894
• Molar Refractivity: 28.4748 cm^3
• Polarizability: 11.331112 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96 °C(lit.)
• Flash Point: 1 °C; 33.8 °F
• Density: 0.855 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.3835(lit.)
• Vapor Pressure: 40 mmHg ( 20 °C)

Safety Information

• RTECS: TY1145000
• European Hazard Symbols: Flammable (F)
• UN Number: 3271
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19
• Safety Statements: 9-16-24/25-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥99%
• Linear Formula: CH3CH(OCH3)CH2OCH3

DETAILS

Sigma Aldrich - 281603

Packaging
5 mL in glass bottle