2-butoxyethyl acetate

• ChemBase ID: 138017
• Molecular Formular: C8H16O3
• Molecular Mass: 160.21084
• Monoisotopic Mass: 160.10994437
• SMILES: CCCCOCCOC(=O)C
• Canonical SMILES: CCCCOCCOC(=O)C
• InChI: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
• InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxyethyl acetate
• IUPAC Traditional name: 2-butoxyethanol acetate
• Synonyms: BCA; 1-Acetoxy-2-butoxyethane; Ethylene glycol monobutyl ether acetate; 2-Butoxyethyl acetate; 2-Butyloxyethyl acetate; Acetic acid 2-butoxyethyl ester; 2-n-Butoxyethyl acetate; 乙二醇丁醚乙酸酯; 乙酸-2-丁氧基乙酯; 2-丁氧基乙酸乙酯; 乙二醇单丁醚乙酸酯; 乙酸-2-丁氧基乙酯; 2-正丁氧基乙基乙酸酯

Database IDs

• CAS Number: 112-07-2
• EC Number: 203-933-3
• MDL Number: MFCD00009457
• Beilstein Number: 1756960
• PubChem SID: 24845084; 24858580; 162232276; 24878229
• PubChem CID: 8160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1994718
• LogD (pH = 7.4): 1.1994718
• Log P: 1.1994718
• Molar Refractivity: 42.3299 cm^3
• Polarizability: 16.941893 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -64°C
• Boiling Point: 188-192 °C(lit.); 191-192°C; 192 °C(lit.)
• Flash Point: 168.8 °F; 71°C(159°F); 76 °C
• Auto Ignition Point: 644 °F
• Density: 0.940 g/mL at 20 °C(lit.); 0.942; 0.942 g/mL at 25 °C(lit.)
• Refractive Index: 1.4130; n20/D 1.413(lit.); n20/D 1.414
• Vapor Pressure: 0.29 mmHg ( 20 °C)
• Vapor Density: 5.5 (vs air)

Safety Information

• RTECS: KJ8925000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21
• Safety Statements: 24
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 0.88 %, 33 °F; 8.54 %, 135 °F
• GHS Hazard statements: H312-H332; H312-H332-H227-H303
• GHS Precautionary statements: P262; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: CH3COOCH2CH2O(CH2)3CH3

DETAILS

Sigma Aldrich - 307289

包装
1 L in poly bottle
25 mL in poly bottle