P-Hydroxybenzyl Alcohol Details
: IUPAC Name
2-(hydroxymethyl)phenol
:Chemical Class
Alcohol
:CAS Registry Number
90-01-7
:Description
:Fragrance Type
coconut
Physical and Chemical properties
| PUBCHEM ID | 5146 |
| Molecular Weight (mg/mol) | 124.137 |
| Molecular Formula | C7H8O2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 2-(hydroxymethyl)phenol |
| Canonical SMILES | OCc1ccccc1O |
| PUBCHEM IUPAC INCHIKEY | CQRYARSYNCAZFO-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -2.603 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 40.5 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 0.983 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 1.00305 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | None |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 90-01-7 | ALB | Homo sapiens | ALB protein binds to and affects the transport of salicyl alcohol | affects^binding|affects^transport | 8831264 |
| 2 | 90-01-7 | BCHE | Homo sapiens | [2-(2-cresyl)-4H-1-3-2-benzodioxaphosphorin-2-oxide binds to and results in decreased activity of BCHE protein] which results in increased abundance of salicyl alcohol | affects^binding|decreases^activity|increases^abundance | 22898212 |
| 3 | 90-01-7 | SOD2 | Rattus norvegicus | salicyl alcohol inhibits the reaction [2,2'-azobis(2-amidinopropane) results in decreased activity of SOD2 protein] | decreases^activity|decreases^reaction | 19665455 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 90-01-7 | P-Hydroxybenzyl Alcohol |
Compound Image
2D Structure
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