Basic information
- CAS
19826-87-0- Standard SMILES
OCC(O)COc1ccccc1O- InChIKey
YFTRBASNPFHPAJ-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 3-(2-Hydroxyphenoxy)propane-1,2-diol
- IUPAC
- 3-(2-hydroxyphenoxy)propane-1,2-diol
- English name
- 3-(2-Hydroxyphenoxy)-1,2-propanediol
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
3-(2-hydroxyphenoxy)propane-1,2-diol19826-87-0DTXSID50941656RefChem:1066538DTXCID7010070543-(2-hydroxyphenoxy)-1,2-propanediolGuaifenesin M (des-methyl)3-(o-Hydroxyphenoxy)-1,2-propanediol1,2-Propanediol, 3-(o-hydroxyphenoxy)-O-DesmethylguaifenesinSCHEMBL6002023YFTRBASNPFHPAJ-UHFFFAOYSA-N
Show more names
O-Desmethyl Guaifenesin1,2-Propanediol, 3-(2-hydroxyphenoxy)-
UAA82687AKOS0207893603-(2-Hydroxyphenoxy)-1,2-propanediol; 1,2-Propanediol, 3-(2-hydroxyphenoxy)-; 1,2-Propanediol, 3-(o-hydroxyphenoxy)- (6CI,8CI); 3-(2-Hydroxyphenoxy)-1,2-propanediol; 3-(2-Hydroxyphenoxy)propane-1,2-diol
Database identifiers
- CAS
19826-87-0- PubChem CID
- 89231
- DTXSID
DTXSID50941656- Nikkaji
- J50.839J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Guaifenesin
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 245 · 245-255 °C(Press: 18 Torr)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.30(Predicted)
Chemistry & industry
Applications
Uses3-(2-Hydroxyphenoxy)-1,2-propanediol is a substituted phenol with germicidal activity/properties.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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