Phenyl glydidyl ether (CED0073717)

Record Information

Version

1.0

Creation Date

2016-05-19 03:08:50 UTC

Update Date

2026-08-25 07:51:58 UTC

Accession Number

CHEM009652

Identification

Common Name

Phenyl glydidyl ether

Class

Small Molecule

Description

Phenyl glydidyl ether belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the formula C9H10O2 and an average molecular weight of 150.18 g/mol. In industrial applications, phenyl glydidyl ether serves as a solvent, a heat stabilizer, and a chemical reaction regulator. The compound is found in or released from 20 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, adjustable resistors, auxiliary devices, coils, and cores yokes or armatures, among 11 other items. It is also found in building and construction materials, specifically in ceilings, floors, and tents or canopies. Additionally, it has been identified in drinking water and water supply. The recorded exposure route for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Phenyl glycidyl ether	MeSH
Phenylglycidyl ether	MeSH

Chemical Formula

C₉H₁₀O₂

Average Molecular Mass

150.177 g/mol

Monoisotopic Mass

150.068 g/mol

CAS Registry Number

122-60-1

IUPAC Name

2-(phenoxymethyl)oxirane

Traditional Name

phenyl glydidyl ether

SMILES

C(OC1=CC=CC=C1)C1CO1

InChI Identifier

InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2

InChI Key

FQYUMYWMJTYZTK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol ethers

Sub Class

Not Available

Direct Parent

Phenol ethers

Alternative Parents

Substituents

Phenoxy compound
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aromatic ether (CHEBI:82367 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	1.2 g/L	ALOGPS
logP	1.63	ALOGPS
logP	1.66	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	21.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	41.27 m³·mol⁻¹	ChemAxon
Polarizability	16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-3900000000-36321426ab37393bd711	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pb9-9500000000-bec4ca49ef5cf3bf78b7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pvm-9000000000-1a7bfbce01f7db80e1d6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-5900000000-034d9cec27914f67b022	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-8ecbba7ea3302f9a00aa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-8400eb8519ec2be6df5f	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2736.0	Log mg/kg	[1500:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
233	Brushes	Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Alpha-1A adrenergic receptor	P97718	Mus musculus	Predicted (SEA)	0.934191
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P35363	Mus musculus	Predicted (SEA)	7.08428
Click to view 3D structure	D(4) dopamine receptor	P51436	Mus musculus	Predicted (SEA)	1.40129
Click to view 3D structure	D(2) dopamine receptor	P61168	Mus musculus	Predicted (SEA)	2.17978
Click to view 3D structure	D(1A) dopamine receptor	Q61616	Mus musculus	Predicted (SEA)	6.07224
Click to view 3D structure	5-hydroxytryptamine receptor 1A	Q64264	Mus musculus	Predicted (SEA)	16.7376
Click to view 3D structure	5-hydroxytryptamine receptor 2B	Q02152	Mus musculus	Predicted (SEA)	2.64687
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	148.458
Click to view 3D structure	D(3) dopamine receptor	P30728	Mus musculus	Predicted (SEA)	1.24559
Click to view 3D structure	Alpha-1D adrenergic receptor	P97714	Mus musculus	Predicted (SEA)	2.02408
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P34968	Mus musculus	Predicted (SEA)	1.47914
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	209.726
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	345.183
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	529.063
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	165.352
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	200.15
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	303.301
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	675.031
Click to view 3D structure	Sigma intracellular receptor 2	Q5U3Y7	Rattus norvegicus	Predicted (SEA)	167.142
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28334	Mus musculus	Predicted (SEA)	3.97031
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	251.998
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-10	Q9JLB5	Rattus norvegicus	Predicted (SEA)	1.08989
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	381.539
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	779.037
Click to view 3D structure	Prostaglandin D2 receptor	P70263	Mus musculus	Predicted (SEA)	11.366