ContaminantDB: ETHYLENE OXIDE POLYMER

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:04:07 UTC

Update Date

2016-11-09 01:09:34 UTC

Accession Number

CHEM005589

Identification

Common Name

ETHYLENE OXIDE POLYMER

Class

Small Molecule

Description

A 1,2-glycol compound produced via reaction of ethylene oxide with water.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,2-Dihydroxyethane	ChEBI
1,2-Ethanediol	ChEBI
2-Hydroxyethanol	ChEBI
Ethanediol	ChEBI
Glycol	ChEBI
HO-CH2-CH2-OH	ChEBI
Monoethylene glycol	ChEBI
1,2 Ethanediol	HMDB
Glycol, monoethylene	HMDB
2 Hydroxyethanol	HMDB
Glycol, ethylene	HMDB
Poly(ethylene glycol)	HMDB
Polyethylene oxide	HMDB
Poly(ethylene oxide)	HMDB
Polyoxyethylene	HMDB
Poly(oxyethylene)	HMDB
PEG	HMDB
PEO	HMDB
POE	HMDB
Alkox	HMDB
Carbowax	HMDB
Carbowax sentry	HMDB
Macrogol	HMDB
MiraLax	HMDB
Α,ω-hydroxypoly(ethylene oxide)	HMDB
Α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl)	HMDB
Α-hydro-ω-hydroxypoly(oxyethylene)	HMDB
alpha,Omega-hydroxypoly(ethylene oxide)	HMDB
alpha-Hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)	HMDB
alpha-Hydro-omega-hydroxypoly(oxyethylene)	HMDB
Ethylene glycol homopolymer	HMDB
Ethylene glycol polymer	HMDB
Ethylene oxide polymer	HMDB
Ethylene polyoxide	HMDB
Ethylene glycol	HMDB
Polyethylene glycol	HMDB

Chemical Formula

C₉H₁₇NO₃

Average Molecular Mass

187.236 g/mol

Monoisotopic Mass

187.121 g/mol

CAS Registry Number

9002-90-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(N)C(=O)CCCCCC(O)=O

InChI Identifier

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)

InChI Key

GUAHPAJOXVYFON-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

1,2-diols

Alternative Parents

Substituents

1,2-diol
Hydrocarbon derivative
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glycol (CHEBI:30742 )
ethanediol (CHEBI:30742 )
a glycol (GLYCOL )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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	950 g/L	ALOGPS
logP	-1.5	ALOGPS
logS	1.18	ALOGPS
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-3f04f129d6a8c819d7bc	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-eaa1e5b7b88211fa7edb	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-dcef056f352184a24448	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-3f04f129d6a8c819d7bc	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-eaa1e5b7b88211fa7edb	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-9000000000-dcef056f352184a24448	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03e9-9000000000-7d7e99366b74aa908fb5	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9300000000-1cb14d2c8cf1747328eb	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-1d69e3daf74c74648262	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-7060d349c304512b9f75	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-3bc95e388ddb6eadd69d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-c649f289b243e440bfa9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-7d8813644ca43096609f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01ox-9000000000-17eed3caf789fe508145	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-bc322895724fc86f7dc0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-8057e63671cfd392ae43	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-f589ce99213e8dfb1d61	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-8eeb88a032ec50107369	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-00ba25458eb6c0cc2940	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-00ba25458eb6c0cc2940	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-001i-9000000000-2fa6f85cb914a856ccc3	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum