2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane (CED0315837)

Record Information

Version

1.0

Creation Date

2026-09-01 16:44:16 UTC

Update Date

2026-09-01 16:44:16 UTC

SynCED ID

CED0315837

Secondary Accession Numbers

CHEM361785

Identification

Common Name

2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane

Class

Small Molecule

Description

2,4,6-tri(propan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane is a chemical compound with the formula C9H21B3O6. It has an average molecular weight of 257.70 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₂₁B₃O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

258.162 g/mol

CAS Registry Number

10298-87-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

B1(OB(OB(O1)OC(C)C)OC(C)C)OC(C)C

InChI Identifier

InChI=1S/C9H21B3O6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3

InChI Key

IZEVWCPYYXBRCQ-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

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
2441.0 Log mg/kg [1400:4300]	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
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
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	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

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	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.136 Low confidence Statistical Significance 0.8815 Supporting Reference Compounds 48 E-value 6862.72
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.143 Low confidence Statistical Significance 0.9965 Supporting Reference Compounds 372 E-value 7757.52
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.143 Low confidence Statistical Significance 0.9966 Supporting Reference Compounds 407 E-value 7758.84
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.143 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 332 E-value 7755.26
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.143 Low confidence Statistical Significance 0.9981 Supporting Reference Compounds 400 E-value 7770.44
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.132 Low confidence Statistical Significance 0.8751 Supporting Reference Compounds 37 E-value 6812.74
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.136 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 258 E-value 7771.38
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.136 Low confidence Statistical Significance 0.9971 Supporting Reference Compounds 180 E-value 7762.66
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.128 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 686 E-value 7780.72
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.139 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 472 E-value 7778.46
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.132 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 541 E-value 7776.2
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.128 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 823 E-value 7782.04
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.136 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 487 E-value 7780.8
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.136 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 145 E-value 7765.15
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.13 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 451 E-value 7781.34
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.118 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 955 E-value 7782.82
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.121 Low confidence Statistical Significance 0.9698 Supporting Reference Compounds 40 E-value 7550.13
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.122 Low confidence Statistical Significance 0.9751 Supporting Reference Compounds 43 E-value 7591.08
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.114 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 562 E-value 7782.04
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.129 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 373 E-value 7782.04
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.112 Applicability Domain 0.118 Low confidence Statistical Significance 0.9951 Supporting Reference Compounds 185 E-value 7747.01
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.112 Applicability Domain 0.116 Low confidence Statistical Significance 0.628 Supporting Reference Compounds 16 E-value 4889.16
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0085 Supporting Reference Compounds 1 E-value 66.5611
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.143 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 292 E-value 7776.44
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.114 Low confidence Statistical Significance 0.9971 Supporting Reference Compounds 154 E-value 7762.42