Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis- (CED0177808)

Record Information

Version

1.0

Creation Date

2016-05-19 03:17:04 UTC

Update Date

2026-08-18 03:25:51 UTC

Accession Number

CHEM010128

Identification

Common Name

Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-

Class

Small Molecule

Description

Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis- is an organic compound with the chemical formula C10H24N2O4 and an average molecular weight of 236.31 g/mol. Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis- belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, this substance serves as a chelating agent and a pH regulating agent. The compound is identified in 17 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, amplifiers, electric switches, electric hearing aids, and communication cables or conductors, among six other items. In the building and construction sector, it is present in fencing as well as sunshades awnings or outside screens. Additionally, it is detected in household items such as key rings and within household cleaning and consumer products, specifically in non electric simulated smoking devices and cigar cigarettes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₂₄N₂O₄

Average Molecular Mass

236.312 g/mol

Monoisotopic Mass

236.174 g/mol

CAS Registry Number

140-07-8

IUPAC Name

2-({2-[bis(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino)ethan-1-ol

Traditional Name

2-({2-[bis(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino)ethanol

SMILES

OCCN(CCO)CCN(CCO)CCO

InChI Identifier

InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2

InChI Key

BYACHAOCSIPLCM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,2-aminoalcohols

Alternative Parents

Substituents

Tertiary aliphatic amine
Tertiary amine
1,2-aminoalcohol
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	48.5 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-2.6	ChemAxon
logS	-0.69	ALOGPS
pKa (Strongest Acidic)	14.99	ChemAxon
pKa (Strongest Basic)	8.93	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	87.4 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	63.18 m³·mol⁻¹	ChemAxon
Polarizability	26.82 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0190000000-771b30dc6f724ef148d6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-2930000000-0c76e78887b6d222848b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01pa-9800000000-7f5147e5d026da5e13df	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0190000000-d449e296fc7fe3e23eff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-1490000000-005a3798e77fe47672c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fdx-9710000000-5aff707c7bc05acb0a1c	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
5997.0	Log mg/kg	[3400:11000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
490		Personal care & cosmetics	Not Available
496	Fencing	Building & Construction	Not Available
501	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
502	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
573	Key Rings	Household items	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
644	Hook Or Eye Fasteners	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	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	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	0.622794
Click to view 3D structure	Exopolyphosphatase PRUNE1	Q86TP1	Humans	Predicted (SEA)	9.34191
Click to view 3D structure	Neutral alpha-glucosidase C	Q8TET4	Humans	Predicted (SEA)	4.43741
Click to view 3D structure	Alpha-galactosidase A	D3ZJF9	Rattus norvegicus	Predicted (SEA)	4.43741
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	46.3203
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	7.62922
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	563.862
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7439.97
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7421.68
Click to view 3D structure	Fructose-bisphosphate aldolase	P56109	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	12.6894
Click to view 3D structure	Alpha-glucosidase MAL62	P07265	Saccharomyces cerevisiae	Predicted (SEA)	8.09632
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	245.225
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	51.9254
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7486.14
Click to view 3D structure	Beta-galactosidase	D3ZUM4	Rattus norvegicus	Predicted (SEA)	9.26406
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	4188.05
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	3425.29
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7571.38
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	7770.21
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	7753.08
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	7495.48
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic	Q9XFS9	Arabidopsis thaliana	Predicted (SEA)	14.7135
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Q55663	Synechocystis sp. (strain PCC 6803 / Kazusa)	Predicted (SEA)	14.7135
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	7155.51
Click to view 3D structure	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Q9Y233	Humans	Predicted (SEA)	7553.09