1,1,1-Trifluoropropan-2-yl acetate

Base Information

• Chemical Name: 1,1,1-Trifluoropropan-2-yl acetate
• CAS No.: 400-37-3
• Molecular Formula: C5H7 F3 O2
• Molecular Weight: 156.105
• Hs Code.: 2915390090
• European Community (EC) Number: 691-012-0
• DSSTox Substance ID: DTXSID80397485
• Mol file: 400-37-3.mol

Synonyms:400-37-3;1,1,1-trifluoropropan-2-yl acetate;1,1,1-Trifluoro-2-propyl acetate;1,1,1-trifluoroisopropyl acetate;2-Propanol, 1,1,1-trifluoro-, acetate;SCHEMBL92811;DTXSID80397485;MAYNRHVBTKYGSD-UHFFFAOYSA-N;1,1,1-trifluoro isopropyl acetate;1,1,1-Trifluoroprop-2-yl acetate;MFCD00039263;AKOS006228772;1,1,1-tris(fluoranyl)propan-2-yl ethanoate;FT-0605947;acetic acid 1,1,1-trifluoropropan-2-yl ester;A824861

Chemical Property of 1,1,1-Trifluoropropan-2-yl acetate

Chemical Property:

• Vapor Pressure: 137mmHg at 25°C
• Refractive Index: n20/D 1.319(lit.)
• Boiling Point: 73 °C749 mm Hg(lit.)
• Flash Point: 16 °F
• PSA: 26.30000
• Density: 1.108 g/mL at 25 °C(lit.)
• LogP: 1.50030
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 156.03981395
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trifluoroisopropyl acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi
• Statements: 11-34-36/37
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(F)(F)F)OC(=O)C

Technology Process of 1,1,1-Trifluoropropan-2-yl acetate

There total 2 articles about 1,1,1-Trifluoropropan-2-yl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1,1-trifluoroisopropanol (374-01-6) → acetic acid-(β,β,β-trifluoro-isopropyl ester) (400-37-3)

Guidance literature:

DOI:10.1021/ja01649a044

Reference yield:

1,1,1-trifluoroisopropanol (374-01-6) + acetyl chloride (75-36-5) → acetic acid-(β,β,β-trifluoro-isopropyl ester) (400-37-3)

Guidance literature:

Reference yield:

acetic acid-(β,β,β-trifluoro-isopropyl ester) (400-37-3) → 1,1,1-trifluoropropylene (677-21-4)

Guidance literature:

at 490 ℃;

DOI:10.1021/ja01609a035

upstream raw materials:

1,1,1-trifluoroisopropanol

acetyl chloride

Downstream raw materials:

1,1,1-trifluoropropylene