2-(formyloxy)ethyl formate

• ChemBase ID: 112251
• Molecular Formular: C4H6O4
• Molecular Mass: 118.08804
• Monoisotopic Mass: 118.02660867
• SMILES: O=COCCOC=O
• Canonical SMILES: O=COCCOC=O
• InChI: InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2
• InChIKey: IKCQWKJZLSDDSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(formyloxy)ethyl formate
• IUPAC Traditional name: 1,2-ethanediol, diformate
• Synonyms: 1,2-DIFORMYLOXYETHANE; 1,2-Diformyloxyethane; Ethylene glycol diformate; 二甲酸乙二醇酯; 乙二醇二甲酸酯

Database IDs

• CAS Number: 629-15-2
• EC Number: 211-077-7
• MDL Number: MFCD00014129
• Beilstein Number: 1746362
• PubChem SID: 24869785; 162098214
• PubChem CID: 12376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.42382568
• LogD (pH = 7.4): -0.42382568
• Log P: -0.42382568
• Molar Refractivity: 23.8756 cm^3
• Polarizability: 9.824232 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 174-178 °C(lit.)
• Density: 1.226 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.415

Safety Information

• RTECS: KW5250000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0%
• Linear Formula: HCOOCH2CH2OCHO

DETAILS

MP Biomedicals - 05223152

MP Biomedicals Rare Chemical collection