Ethanol, 2-[2-(dimethylamino)ethoxy]- (CED0045071)

Record Information

Version

1.0

Creation Date

2016-05-19 03:24:48 UTC

Update Date

2026-08-23 07:47:50 UTC

Accession Number

CHEM010584

Identification

Common Name

Ethanol, 2-[2-(dimethylamino)ethoxy]-

Class

Small Molecule

Description

Ethanol, 2-[2-(dimethylamino)ethoxy]- is an organic compound with the chemical formula C6H15NO2 and an average molecular weight of 133.19 g/mol. Ethanol, 2-[2-(dimethylamino)ethoxy]- belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance has been identified in or released from six recorded sources. These sources include household items such as coins, as well as drinking water and water supply systems. Additionally, it is associated with building and construction materials, specifically ladders and roofs, and electrical and electronic equipment, including antennas and cores yokes or armatures. Regarding human interaction with the chemical, the recorded exposure route is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(2-Dimethylaminoethoxy)ethanol	MeSH

Chemical Formula

C₆H₁₅NO₂

Average Molecular Mass

133.191 g/mol

Monoisotopic Mass

133.110 g/mol

CAS Registry Number

1704-62-7

IUPAC Name

2-[2-(dimethylamino)ethoxy]ethan-1-ol

Traditional Name

2-[2-(dimethylamino)ethoxy]ethanol

SMILES

CN(C)CCOCCO

InChI Identifier

InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3

InChI Key

YSAANLSYLSUVHB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Trialkylamines

Alternative Parents

Substituents

Tertiary aliphatic amine
Ether
Dialkyl ether
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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	1220 g/L	ALOGPS
logP	-0.37	ALOGPS
logP	-0.55	ChemAxon
logS	0.96	ALOGPS
pKa (Strongest Acidic)	15.12	ChemAxon
pKa (Strongest Basic)	8.87	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.7 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.32 m³·mol⁻¹	ChemAxon
Polarizability	15.67 Å³	ChemAxon
Number of Rings	0	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	splash10-001i-3900000000-d9a28ca391e99e5ee297	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00e9-9400000000-efb752eef1de07245f04	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dj-9000000000-f98c9873a5df94c85b6a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-3900000000-5c47951a7d92d8cb56ce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9800000000-e2bc76bf2213dbf70671	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-2cc5d58a7d15344b3fd0	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
2143.0	Log mg/kg	[1200:3800]	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
498	Ladders	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
571	Coins	Household items	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
589	Life Buoys	Marine, shipping & aquaculture	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

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	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	1801.98
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	2000.96
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	1313.78
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	1260.69
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	1018.11
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	2267.2
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	5123.65
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	1145.4
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	1296.19
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	632.058
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	2126.3
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	2732.2
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	2351.75
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	2991.36
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	2762.79
Click to view 3D structure	Estrogen-related receptor gamma	P62508	Humans	Predicted (SEA)	110.546
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	3944.31
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	3028.41
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	3899.78
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	3424.43
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	5289.7
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	5647.81
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	4427.29
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	4194.59
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	3572.27