8.02189

tert-Butyl acetate

for synthesis

• Synonym(s): tert-Butyl acetate, Acetic acid tert-butyl ester
• Linear Formula: CH₃COOC(CH₃)₃
• CAS Number: 540-88-5
• Molecular Weight: 116.16
• UNSPSC Code: 12352108
• EC Index Number: 208-760-7
• NACRES: NA.22
• MDL number: MFCD00008807
• Assay: ≥99.0% (GC)
• Form: liquid

Properties

• vapor pressure: 41 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥99.0% (GC)
• form: liquid
• potency: 4100 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 1.5 % (v/v)
• bp: 95-97 °C/1013 hPa
• transition temp: flash point 1 °C
• density: 0.87 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(C(C)(C)C)C(=O)C
• InChI: 1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
• InChI key: WMOVHXAZOJBABW-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.865 - 0.866
Identity (IR): passes test

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Codes: H225,H332,H335,H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 2 - STOT SE 3
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point (°F): 39.2 °F - closed cup
• Flash Point (°C): 4 °C - closed cup
• Target Organs: Central nervous system, Respiratory system