(z)-n,n-bis(2-hydroxyethyl)octadec-9-en-1-amine oxide (CED0284307)

Record Information

Version

1.0

Creation Date

2026-08-30 15:22:46 UTC

Update Date

2026-08-30 15:22:46 UTC

SynCED ID

CED0284307

Secondary Accession Numbers

CHEM329721

Identification

Common Name

(z)-n,n-bis(2-hydroxyethyl)octadec-9-en-1-amine oxide

Class

Small Molecule

Description

(z)-n,n-bis(2-hydroxyethyl)octadec-9-en-1-amine oxide is a chemical compound with the formula C22H45NO3 and an average molecular weight of 371.60 g/mol. This substance has been identified in one recorded source, specifically within household cleaning and consumer products such as soap dispensers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₄₅NO₃

Average Molecular Mass

Not Available

Monoisotopic Mass

371.340 g/mol

CAS Registry Number

93962-62-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)[O-]

InChI Identifier

InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-

InChI Key

RPMFWLKUMRBVKZ-KTKRTIGZSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2696.0 Log mg/kg [1500:4800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	Electrical & Electronic Equipment	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000564	Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.	Household cleaning & consumer products	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.469 Applicability Domain 0.469 Statistical Significance 1.00e-05 Supporting Reference Compounds 1 E-value 0.0778492
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 0.429 Statistical Significance 0.0023 Supporting Reference Compounds 127 E-value 17.9053
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 0.429 Statistical Significance 0.0016 Supporting Reference Compounds 89 E-value 12.3002
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.41 Applicability Domain 0.429 Statistical Significance 8.50e-04 Supporting Reference Compounds 21 E-value 6.61718
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.403 Applicability Domain 0.429 Statistical Significance 0.0022 Supporting Reference Compounds 83 E-value 16.8933
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.403 Applicability Domain 0.429 Statistical Significance 0.0031 Supporting Reference Compounds 192 E-value 24.4447
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.372 Applicability Domain 0.425 Statistical Significance 0.0041 Supporting Reference Compounds 200 E-value 31.996
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.367 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.425 Statistical Significance 0.0025 Supporting Reference Compounds 104 E-value 19.618
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.429 Statistical Significance 0.0043 Supporting Reference Compounds 106 E-value 33.7866
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.425 Statistical Significance 0.0047 Supporting Reference Compounds 175 E-value 36.8227
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.395 Statistical Significance 0.0033 Supporting Reference Compounds 102 E-value 25.6124
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.332 Applicability Domain 0.372 Statistical Significance 0.0022 Supporting Reference Compounds 39 E-value 17.049
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.429 Statistical Significance 0.0054 Supporting Reference Compounds 197 E-value 41.8829
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.372 Statistical Significance 0.0021 Supporting Reference Compounds 42 E-value 16.504
Click to view 3D structure	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	P08487	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.341 Statistical Significance 6.10e-04 Supporting Reference Compounds 3 E-value 4.7488
Click to view 3D structure	Cannabinoid receptor 2	Q9QZN9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.372 Statistical Significance 7.70e-04 Supporting Reference Compounds 20 E-value 5.99439
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.429 Statistical Significance 0.0012 Supporting Reference Compounds 19 E-value 9.03051
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.35 Statistical Significance 0.0012 Supporting Reference Compounds 21 E-value 9.34191
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.35 Statistical Significance 0.0011 Supporting Reference Compounds 30 E-value 8.40772
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	O35433	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.372 Statistical Significance 0.0018 Supporting Reference Compounds 21 E-value 14.4021
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.294 Low confidence Statistical Significance 9.40e-04 Supporting Reference Compounds 1 E-value 7.31783
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.294 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 40 E-value 15.0249
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.35 Statistical Significance 0.0016 Supporting Reference Compounds 31 E-value 12.7673
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 5.70e-04 Supporting Reference Compounds 1 E-value 4.43741