3-[bis(2,4-dioxopentan-3-yl)alumanyl]pentane-2,4-dione (CED0229428)

Record Information

Version

1.0

Creation Date

2026-08-26 17:05:21 UTC

Update Date

2026-08-26 17:05:21 UTC

Accession Number

CHEM273162

Identification

Common Name

3-[bis(2,4-dioxopentan-3-yl)alumanyl]pentane-2,4-dione

Class

Small Molecule

Description

3-[bis(2,4-dioxopentan-3-yl)alumanyl]pentane-2,4-dione is a chemical compound with the formula C15H21AlO6 and an average molecular weight of 324.30 g/mol. It has been identified in or released from five recorded sources. These sources include building and construction materials, specifically tents or canopies, as well as electrical and electronic equipment. Within the category of electrical and electronic equipment, the compound is associated with antennas, cores yokes or armatures, superconducting magnets and superconducting coils, and superconductive or hyperconductive conductors cables or transmission lines.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₁AlO₆

Average Molecular Mass

Not Available

Monoisotopic Mass

324.115 g/mol

CAS Registry Number

13963-57-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)C(C(=O)C)[Al](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C

InChI Identifier

InChI=1S/3C5H7O2.Al/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;

InChI Key

XBIUWALDKXACEA-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

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
2707.0	Log mg/kg	[1500:4800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	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	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	22.4984
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	1.08989
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7208.14
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	22.5763
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6433.62
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7152.48
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	27.0137
Click to view 3D structure	Histamine oxidase	Q59118	Arthrobacter globiformis	Predicted (SEA)	42.1164
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)	76.3701
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6574.44
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6772.57
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	5646.79
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7487.38
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	5042.14
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	46.2424
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	44.6855
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	6294.19
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7379.25
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	6277.68
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	6345.26
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	6708.81
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	5318.66
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	7442.07
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	526.183
Click to view 3D structure	Solute carrier family 15 member 1	P46059	Humans	Predicted (SEA)	1594.04