2,3-Pentanediol
pentane-2,3-diol
Also Known As: Pentane-2,3-diol|2,3-Pentanediol|methyl butane 2,3-diol|SID:124360329|255-632-1
CAS: 4518-45-0
| Molecular Formula | CCC(C(C)O)O |
|---|---|
| Molecular Weight | 104.08373 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.08373 |
| Monoisotopic Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 4518-45-0 |
|---|---|
| SMILES | CCC(C(C)O)O |
| InChIKey | XLMFDCKSFJWJTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (14 patents)
Biotechnology (4 patents)
Catalysts (40 patents)
Coatings & Adhesives (58 patents)
Construction Chemicals (5 patents)
Dyes & Pigments (27 patents)
Electronic Chemicals (18 patents)
Heterocyclic Building Blocks (159 patents)
Lubricants & Additives (7 patents)
Organic Building Blocks (178 patents)
Organometallic Reagents (7 patents)
Peptides & Amino Acids (2 patents)
Pharmaceutical Intermediates (54 patents)
Photographic Chemicals (15 patents)
Plastic Additives (44 patents)
Polymer Intermediates (240 patents)
Specialty Chemicals (35 patents)
Surfactants & Detergents (129 patents)
Textile Chemicals (12 patents)
Product Overview
2,3-Pentanediol (CAS 4518-45-0), with molecular formula CCC(C(C)O)O and molecular weight 104.08373 g/mol. IUPAC: pentane-2,3-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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