268

2-phenoxyethanol

Created:	2007-10-02
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 268 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 268

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-phenoxyethanol
Systematic Name (OpenEye OEToolkits)	2-phenoxyethanol
Formula	C₈ H₁₀ O₂
Molecular Weight	138.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccccc1)CCO
SMILES	CACTVS	3.341	OCCOc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)OCCO
Canonical SMILES	CACTVS	3.341	OCCOc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)OCCO
InChI	InChI	1.03	InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey	InChI	1.03	QCDWFXQBSFUVSP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11304
Name	Phenoxyethanol
Groups	approved
Description	Phenoxyethanol is a colorless liquid with a pleasant odor. It is a glycol ether used as a perfume fixative, insect repellent, antiseptic, solvent, preservative, and also as an anesthetic in fish aquaculture. Phenoxyethanol is an ether alcohol with aromatic properties. It is both naturally found and manufactured synthetically. Demonstrating antimicrobial ability, phenoxyethanol acts as an effective preservative in pharmaceuticals, cosmetics and lubricants [L2619]. Phenoxyethanol (EU), or PE, is the most commonly used globally-approved preservative in personal care formulations. It is very easy to use in various types of formulations and is chemically stable. Phenoxyethanol is a colorless, clear, oily liquid with a faint aromatic odor at room temperature and a low water solubility and evaporation rate. It is produced by reacting phenol (EU) and ethylene oxide (EU) at a high temperature and pressure. This substance occurs naturally in green tea (EU) [L2621]. According to the European Union Cosmetics Regulation (EC) n.1223/2009, phenoxyethanol is authorized as a preservative in cosmetic formulations at a maximum concentration of 1.0% [L2625]. Phenoxyethanol has been classified as an antimicrobial and preservative by Health Canada [L2623]. It has also been used in vaccines and shown to inactivate bacteria, and several types of yeast [A32838].
Synonyms	Phenoxyethanol Phenyl cellosolve 2-Phenoxyethyl alcohol 2-Hydroxyethyl phenyl ether Phenoxytol beta-Hydroxyethyl phenyl ether Ethylene glycol monophenyl ether Phenylmonoglycol ether 2-phenoxyethanol 1-Hydroxy-2-phenoxyethane
Brand Names	HydroGold 9 Aiweier Alcohol Wipes Hand Sanitizer Smells Clean Micro Puricia Sanitizing Wipes ( Blossom) Disinfect Wipes Disinfection Wet Wipes 75% Alcohol Wipes Alcohol Wipes Lanohex Nettoyeur Pour LA Peau 1.7% Puricia Sanitizing Wipes (Citrus) Sanitize/Disinfect Wipes Cosmos Hv Vaxol Puri Disinfectant Wet Wipes Sanitary alcohol disinfectant wipes Cpap Wipes Lanohex Shp 1.7% Disinfectant Cleaning Wipes Marcorodex Disinfecting Wipes Manugel 85 Hand Sanitizer Purgerm 75% alcohol wipes HPY Instant Hand Sanitizer Wet Wipes AnubisMed Acropole Bleu Puricia Sanitizing Wipes (Mint) Grime Eater Lotion Soap 2.5% SUNHEAL Milia Spot Treatment Edens Hand Sanitizing Wipes Alcohol disinfectant wipes DISINFECT Wet WIPES Puricia Sanitizing Wipes (Lavender) Aiweier Disinfecttant Wipes Antibacterial wipes Alcohol wipes Disinfecting Alcohol Wipes
Indication	Antimicrobial agent used as a preservative in cosmetics [L2618], [L2619], [L2625].
Categories	Alcohols Anesthetics Anti-Infective Agents Anti-Infective Agents, Local Central Nervous System Agents Central Nervous System Depressants Drugs that are Mainly Renally Excreted Glycols
CAS number	122-99-6

Related Resource References

Resource Name	Reference
PubChem	31236
ChEMBL	CHEMBL1229846
ChEBI	CHEBI:64275

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.