1,2-Epoxyoctadecane (CED0029563)

Record Information

Version

1.0

Creation Date

2026-04-04 13:32:56 UTC

Update Date

2026-05-21 14:54:50 UTC

SynCED ID

CED0029563

Secondary Accession Numbers

CHEM074863

Identification

Common Name

1,2-Epoxyoctadecane

Class

Small Molecule

Description

1,2-Epoxyoctadecane is an organic compound with the formula C18H36O1 and an average molecular weight of 268.49 g/mol. 1,2-Epoxyoctadecane belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. This substance has been identified in one recorded source: food, food processing, and cookware, specifically food contact materials. Exposure to the compound can occur through inhalation, oral ingestion, or touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₃₆O₁

Average Molecular Mass

268.485 g/mol

Monoisotopic Mass

268.277 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCCCCCCCCC1CO1

InChI Identifier

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3/t18-/m0/s1

InChI Key

QBJWYMFTMJFGOL-UHFFFAOY-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
6195.0 Log mg/kg [3500:11000]	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
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available

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	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.37 Applicability Domain 0.37 Statistical Significance 8.60e-04 Supporting Reference Compounds 40 E-value 6.69503
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q8K5E0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.37 Statistical Significance 3.00e-05 Supporting Reference Compounds 4 E-value 0.233548
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.37 Statistical Significance 5.70e-04 Supporting Reference Compounds 30 E-value 4.43741
Click to view 3D structure	Cytosolic beta-glucosidase	Q9H227	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.325 Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.32 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.333 Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.324 Statistical Significance 5.30e-04 Supporting Reference Compounds 25 E-value 4.12601
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.325 Statistical Significance 5.90e-04 Supporting Reference Compounds 35 E-value 4.5931
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.289 Low confidence Statistical Significance 4.70e-04 Supporting Reference Compounds 21 E-value 3.65891
Click to view 3D structure	Lysosomal alpha-glucosidase	P70699	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.324 Statistical Significance 3.60e-04 Supporting Reference Compounds 7 E-value 2.80257
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.276 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 1 E-value 4.67095
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.333 Statistical Significance 0.0231 Supporting Reference Compounds 102 E-value 180.221
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.289 Low confidence Statistical Significance 4.00e-04 Supporting Reference Compounds 7 E-value 3.11397
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.286 Low confidence Statistical Significance 0.0389 Supporting Reference Compounds 127 E-value 303.067
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.286 Low confidence Statistical Significance 0.0323 Supporting Reference Compounds 197 E-value 251.687
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.289 Low confidence Statistical Significance 5.00e-04 Supporting Reference Compounds 14 E-value 3.89246
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.324 Statistical Significance 5.80e-04 Supporting Reference Compounds 21 E-value 4.51525
Click to view 3D structure	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.289 Low confidence Statistical Significance 0.0146 Supporting Reference Compounds 63 E-value 113.426
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.324 Statistical Significance 6.00e-04 Supporting Reference Compounds 21 E-value 4.67095
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.286 Low confidence Statistical Significance 0.0372 Supporting Reference Compounds 89 E-value 289.833
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.286 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 21 E-value 36.122
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.286 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 15 E-value 20.3186
Click to view 3D structure	Guanine nucleotide-binding protein G(o) subunit alpha	P09471	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.263 Low confidence Statistical Significance 4.20e-04 Supporting Reference Compounds 2 E-value 3.26967
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.276 Low confidence Statistical Significance 0.0264 Supporting Reference Compounds 46 E-value 205.833