2-(2-ethoxyethoxy)ethyl acetate

• ChemBase ID: 148874
• Molecular Formular: C8H16O4
• Molecular Mass: 176.21024
• Monoisotopic Mass: 176.10485899
• SMILES: CCOCCOCCOC(=O)C
• Canonical SMILES: CCOCCOCCOC(=O)C
• InChI: InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
• InChIKey: FPZWZCWUIYYYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyethoxy)ethyl acetate
• IUPAC Traditional name: carbitol acetate
• Synonyms: 2-(2-Ethoxyethoxy)ethyl acetate; DE Acetate; Ethyldiglycol acetate; Diethylene glycol monoethyl ether acetate; 乙二醇单乙基乙酸酯; 2-(2-乙氧基乙氧基)乙基醋酸酯; DE 醋酸酯; 乙基卡必醇醋酸酯; 二乙二醇单乙基醚醋酸酯

Database IDs

• CAS Number: 112-15-2
• EC Number: 203-940-1
• MDL Number: MFCD00041928
• Beilstein Number: 1764643
• Merck Index: 141800
• PubChem SID: 24878230; 24859315; 162243046
• PubChem CID: 8165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18540528
• LogD (pH = 7.4): 0.18540528
• Log P: 0.18540528
• Molar Refractivity: 44.2484 cm^3
• Polarizability: 17.6748 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C
• Boiling Point: 218-219 °C(lit.); 218-219°C
• Flash Point: 208.4 °F; 95°C(203°F); 98 °C
• Density: 1.011 g/mL at 25 °C(lit.); 1.012
• Refractive Index: 1.4210; n20/D 1.421; n20/D 1.421(lit.)

Safety Information

• RTECS: KK8925000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 19-36; 36
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥99.0% (GC); 99%
• Linear Formula: C2H5OCH2CH2OCH2CH2CO2CH3

DETAILS

Sigma Aldrich - 537527

Packaging
1, 4 L in poly bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 32240

Packaging
1 L in glass bottle