1-Propene-1,3-diol, diacetate

Base Information

• Chemical Name: 1-Propene-1,3-diol, diacetate
• CAS No.: 1945-91-1
• Molecular Formula: C7H10O4
• Molecular Weight: 158.17
• Hs Code.: 2915390090
• UNII: W65PGV067K
• DSSTox Substance ID: DTXSID901031255
• Nikkaji Number: J51.036J
• Mol file: 1945-91-1.mol

Synonyms:1-Propene-1,3-diol, diacetate;Propene-1,3-diol diacetate;1,3-Diacetoxypropene;1,3-Diacetyloxypropene;NSC 16185;1,3-Diacetoxypropene, (E)-;W65PGV067K;1945-91-1;1-Propene-1,3-diol, 1,3-diacetate;[(E)-3-acetyloxyprop-2-enyl] acetate;UNII-W65PGV067K;Diacetic acid 1-propene-1,3-diyl ester;1-Propene-1,3-diol, diacetate, (E)-;31447-25-3;NSC-16185;SCHEMBL11754537;DTXSID901031255;LS-123474

Chemical Property of 1-Propene-1,3-diol, diacetate

Chemical Property:

• Vapor Pressure: 0.0904mmHg at 25°C
• Refractive Index: 1.4610 (estimate)
• Boiling Point: 224.6°C at 760 mmHg
• Flash Point: 107.5°C
• PSA: 52.60000
• Density: 1.093g/cm³
• LogP: 0.62630
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC=COC(=O)C
• Isomeric SMILES: CC(=O)OC/C=C/OC(=O)C

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