1,2-diethoxyethane

• ChemBase ID: 104986
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: CCOCCOCC
• Canonical SMILES: CCOCCOCC
• InChI: InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
• InChIKey: LZDKZFUFMNSQCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diethoxyethane
• IUPAC Traditional name: 1,2-diethoxyethane
• Synonyms: 1,2-Diethoxyethane; ETHYLENE GLYCOL DIETHYL ETHER; Ethylene glycol diethyl ether; Ethylene glycol diethyl ether; 1,2-Diethoxyethane; 1,2-二乙氧基乙烷; 乙二醇二乙醚; 1,2-二乙氧基乙烷

Database IDs

• CAS Number: 629-14-1
• EC Number: 211-076-1
• MDL Number: MFCD00009253
• Beilstein Number: 1732917
• PubChem SID: 24853420; 162092040; 24858867
• PubChem CID: 12375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.79118985
• LogD (pH = 7.4): 0.79118985
• Log P: 0.79118985
• Molar Refractivity: 33.5532 cm^3
• Polarizability: 13.167733 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -74 °C(lit.); -74°C
• Boiling Point: 115-116 °C(lit.); 120-121°C; 121 °C(lit.)
• Flash Point: 19°C(66°F); 22 °C; 71.6 °F
• Density: 0.841 g/mL at 20 °C(lit.); 0.842; 0.842 g/ml; 0.842 g/mL at 25 °C(lit.)
• Refractive Index: 1.3920; n20/D 1.392; n20/D 1.3923(lit.)
• Vapor Pressure: 9.4 mm Hg at 20 °C; 9.4 mmHg ( 20 °C)

Safety Information

• Storage Condition: 2-8°C
• RTECS: KI1225000
• European Hazard Symbols: Flammable (F); Toxic (T); Irritant (Xi)
• UN Number: 1153; UN1153
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II; III
• Australian Hazchem: 3Y
• Risk Statements: 60-61-10-19-36; 61-11-19-36-62; 61-62-11-19-36; R:10-36/37
• Safety Statements: 53-26-45; 53-45; S:9-16-26-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 127
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H360Df; H225-H319-H360FD; H225-H360-H319-H303
• GHS Precautionary statements: P201-P210-P305 + P351 + P338-P308 + P313; P210-P201-P308+P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1153 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥90% (GC); 98%
• Grade: technical
• Impurities: ≤10% 2-ethoxyethanol
• Linear Formula: CH3CH2OCH2CH2OCH2CH3

DETAILS

MP Biomedicals - 02157984

1 ml = approx. 0.84 g

Sigma Aldrich - 224111

Packaging
5, 100, 500 mL in glass bottle