2-(2-butoxyethoxy)ethyl acetate

• ChemBase ID: 108280
• Molecular Formular: C10H20O4
• Molecular Mass: 204.2634
• Monoisotopic Mass: 204.13615912
• SMILES: CCCCOCCOCCOC(=O)C
• Canonical SMILES: CCCCOCCOCCOC(=O)C
• InChI: InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
• InChIKey: VXQBJTKSVGFQOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-butoxyethoxy)ethyl acetate
• IUPAC Traditional name: 2-(2-butoxyethoxy)ethyl acetate
• Synonyms: 2-(2-n-Butoxyethoxy)ethyl acetate; 2-(2-Butoxyethoxy) ethyl acetate; Diethylene glycol monobutyl ether acetate; DIETHYLENEGLYCOL MONOBUTYL ETHER ACETATE; Butyldiglycol acetate; Diethylene glycol monobutyl ether acetate; 2-(2-Butoxyethoxy)ethyl acetate; DB Acetate; 乙酸2-(2-正丁氧基乙氧基)乙酯; 2-(2-正丁氧基乙氧基)乙酸乙酯; 二乙二醇丁醚醋酸酯; 丁基二甘醇乙酸酯; 二乙二醇丁醚乙酸酯; 2-(2-正丁氧基乙氧基)乙酸乙酯; DB 醋酸酯

Database IDs

• CAS Number: 124-17-4
• EC Number: 204-685-9
• MDL Number: MFCD00009458
• Beilstein Number: 1771533
• PubChem SID: 24878231; 24859327; 162089289
• PubChem CID: 31288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1524963
• LogD (pH = 7.4): 1.1524963
• Log P: 1.1524963
• Molar Refractivity: 53.3734 cm^3
• Polarizability: 21.332628 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -32°C; -32°C
• Boiling Point: 237-241°C; 244°C; 245 °C(lit.)
• Flash Point: 102 °C; 115°C(239°F); 215.6 °F
• Auto Ignition Point: 393 °F
• Density: 0.977; 0.977 g/mL at 20 °C(lit.); 0.978 g/mL at 25 °C(lit.); 0.98 g/ml
• Refractive Index: 1.4260; n20/D 1.423(lit.); n20/D 1.426

Safety Information

• RTECS: KJ9275000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 19-36; R:36-58
• Safety Statements: 23-26; 26; S:26-61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 0.76 %, 135 °F; 10.7 %, 203 °F
• 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; Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥98.0%; ≥98.0% (GC); ≥99.2%; 98%; 99%
• Grade: purum; SAJ first grade
• Linear Formula: CH3COOCH2CH2OCH2CH2O(CH2)3CH3

DETAILS

MP Biomedicals - 05206774

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 537535

Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
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