2-Hydroxypropyl neodecanoate

Base Information

• Chemical Name: 2-Hydroxypropyl neodecanoate
• CAS No.: 71880-79-0
• Molecular Formula: C13H26 O3
• Molecular Weight: 230.34374
• European Community (EC) Number: 276-138-2
• DSSTox Substance ID: DTXSID50992587
• Mol file: 71880-79-0.mol

Synonyms:2-Hydroxypropyl neodecanoate;71880-79-0;EINECS 276-138-2;2-hydroxypropyl 7,7-dimethyloctanoate;SCHEMBL11076524;DTXSID50992587;FKJCCFRFRZONNO-UHFFFAOYSA-N

Chemical Property of 2-Hydroxypropyl neodecanoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.90700
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 230.18819469
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC(=O)CCCCCC(C)(C)C)O

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