General
Preferred name
phenoxyethanol
Synonyms
Ethylene glycol phenyl ether ()
Phenoxyethanol ()
NSC 1864 ()
NSC-1864 ()
NSC1864 ()
2-PHENOXYETHANOL ()
FEMA NO. 4620 ()
Phenoxethol ()
Phenyl cellosolve ()
P&D ID
PD013834
CAS
122-99-6
134367-25-2
Tags
natural product
drug
available
Approved by
FDA
Drug Status
approved
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
METABOLISM The fate of phenoxyethanol in rats and humans has been investigated [L2618]. The rate of intestinal absorption was rapid, with 60-70% of the excreted (14)C detected at 3 hours and > 95% of the total 4-day urinary (14)C detected within the first 24 hr. Trace amounts of radioactivity were detected in feces. Four days after dosing, only trace amounts of radioactivity remained in the carcass, primarily in the liver (< 0.2% of the dose), fat and muscle. At the 4 day point, the (14)C concentration in blood was measured to be only 0.001 [L2618].; ; The major metabolite of phenoxyethanol is phenoxyacetic acid [L2629].
TOXICITY LC50 oral, rat; 1980 mg/kg [MSDS].; LD50 Rabbit dermal 2250 mg/kg [L2618].; ; 2-Phenoxyethanol (PhE) has been shown to induce hepatotoxicity, renal toxicity, and hemolysis at dosages ≥ 400 mg/kg/day in subchronic and chronic studies in multiple species [A32847].; ; The major hazards encountered in the use and handling of 2-phenoxyethanol stem from its toxicologic properties. Toxic by all routes (inhalation, ingestion, and dermal contact), exposure to this very faintly aromatic, colorless, oily liquid may occur from its use as a fixative for cosmetics, perfumes, and soaps; as a bactericide and insect repellant; as a solvent for cellulose acetate,dyes, stamp pad, ball point, and specialty inks; as a chemical intermediate for carboxylic acid esters (eg, acrylate, maleate) and polymers (eg, formaldehyde, melamine); and as a preservative for human specimens used for dissection and demonstrations in anatomical studies. Effects resulting from exposure to this substance can include eye irritation, headache, tremors, and central nervous system depression. If contact with the eyes occurs, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. 2-Phenoxyethanol must be preheated before ignition can occur [L2623].
Cell lines
1
Organisms
0
Compound Sets
10
ChEMBL Approved Drugs
CHEMBL1229846
ChEMBL Drugs
CHEMBL1229846
DrugBank
DB11304
DrugBank Approved Drugs
DB11304
DrugCentral
3442
DrugCentral Approved Drugs
3442
MedChem Express Bioactive Compound Library
HY-B1729
NPC Screening Collection
ReFrame library
TargetMol Bioactive Compound Library
T20293
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
138.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.06
TPSA
29.46
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data