Octane, 1,8-diiodo- (CED0084950)

Record Information

Version

1.0

Creation Date

2026-04-03 18:52:54 UTC

Update Date

2026-08-24 16:41:00 UTC

SynCED ID

CED0084950

Secondary Accession Numbers

CHEM067346

Identification

Common Name

Octane, 1,8-diiodo-

Class

Small Molecule

Description

Octane, 1,8-diiodo- belongs to the organoiodides, a class of organohalogen compounds within the organic compounds. It has the chemical formula C8H16I2 and an average molecular weight of 366.02 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₆I₂

Average Molecular Mass

366.025 g/mol

Monoisotopic Mass

365.934 g/mol

CAS Registry Number

24772-63-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ICCCCCCCCI

InChI Identifier

InChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

InChI Key

KZDTZHQLABJVLE-UHFFFAOYSA-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

fluorescent dye (PMC11900130 )?

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
2668.0 Log mg/kg [1500:4700]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs03363	Organic Solar Cells	Electrical & Electronic Equipment	PMC6401865

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	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0044 Supporting Reference Compounds 1 E-value 34.1758
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.0184 Supporting Reference Compounds 1 E-value 143.632
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.231 Low confidence Statistical Significance 0.9889 Supporting Reference Compounds 242 E-value 7698.74
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.231 Low confidence Statistical Significance 0.977 Supporting Reference Compounds 172 E-value 7606.02
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.136 Low confidence Statistical Significance 0.9825 Supporting Reference Compounds 127 E-value 7648.37
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.136 Low confidence Statistical Significance 0.6384 Supporting Reference Compounds 15 E-value 4970.05
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.136 Low confidence Statistical Significance 0.9886 Supporting Reference Compounds 197 E-value 7696.41
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.231 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 151 E-value 7668.85
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.231 Low confidence Statistical Significance 0.9911 Supporting Reference Compounds 193 E-value 7715.64
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.231 Low confidence Statistical Significance 0.9796 Supporting Reference Compounds 157 E-value 7626.03
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.231 Low confidence Statistical Significance 0.9853 Supporting Reference Compounds 165 E-value 7670.48
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.231 Low confidence Statistical Significance 0.9976 Supporting Reference Compounds 372 E-value 7766.08
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.188 Low confidence Statistical Significance 0.9985 Supporting Reference Compounds 406 E-value 7773.32
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.12 Low confidence Statistical Significance 0.0222 Supporting Reference Compounds 1 E-value 173.059
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.12 Low confidence Statistical Significance 0.0132 Supporting Reference Compounds 1 E-value 103.072
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.136 Low confidence Statistical Significance 0.9871 Supporting Reference Compounds 89 E-value 7684.73
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.136 Low confidence Statistical Significance 0.3545 Supporting Reference Compounds 21 E-value 2759.99
Click to view 3D structure	Deoxyhypusine synthase	Q6AY53	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.125 Low confidence Statistical Significance 0.017 Supporting Reference Compounds 3 E-value 132.032
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.136 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 149 E-value 7755.73
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.231 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 332 E-value 7771.92
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.13 Low confidence Statistical Significance 0.9959 Supporting Reference Compounds 106 E-value 7752.85
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.13 Low confidence Statistical Significance 0.9934 Supporting Reference Compounds 83 E-value 7733.23
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.054 Supporting Reference Compounds 1 E-value 420.464
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.1892 Supporting Reference Compounds 1 E-value 1472.67
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.111 Low confidence Statistical Significance 0.5967 Supporting Reference Compounds 15 E-value 4645.03