[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (CED0144495)

Record Information

Version

1.0

Creation Date

2026-08-18 20:58:37 UTC

Update Date

2026-08-18 20:58:37 UTC

Accession Number

CHEM169103

Identification

Common Name

[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol

Class

Small Molecule

Description

[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C12H24O3 and an average molecular weight of 216.32 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₂₄O₃

Average Molecular Mass

216.320 g/mol

Monoisotopic Mass

216.173 g/mol

CAS Registry Number

5694-81-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3

InChI Key

FKXRTSJSCQXMBP-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
2999.0	Log mg/kg	[1700:5300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

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	Alpha-galactosidase C	Q9UUZ4	Aspergillus niger	Predicted (SEA)	5.52729
Click to view 3D structure	Beta-glucosidase A	P10482	Caldicellulosiruptor saccharolyticus	Predicted (SEA)	1.40129
Click to view 3D structure	Carbonic anhydrase 2	P27139	Rattus norvegicus	Predicted (SEA)	1.71268
Click to view 3D structure	Lanosterol 14-alpha demethylase	Q64654	Rattus norvegicus	Predicted (SEA)	124.714
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	90.4608
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	5546.68
Click to view 3D structure	Alpha-glucosidase	Q9LGC6	Oryza sativa Japonica Group	Predicted (SEA)	6.92858
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	20.3186
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	11.8331
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	15.1027
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q69ZF3	Mus musculus	Predicted (SEA)	7.78492
Click to view 3D structure	Heme oxygenase 1	P06762	Rattus norvegicus	Predicted (SEA)	64.6927
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	6.77288
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	49.7457
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	16.3483
Click to view 3D structure	Cytochrome P450 2E1	P05182	Rattus norvegicus	Predicted (SEA)	38.3018
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	15.1806
Click to view 3D structure	Heme oxygenase 2	P23711	Rattus norvegicus	Predicted (SEA)	107.977
Click to view 3D structure	Glycogen debranching enzyme	P35573	Humans	Predicted (SEA)	6.61718
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	27.2472
Click to view 3D structure	Lysosomal alpha-glucosidase	P70699	Mus musculus	Predicted (SEA)	24.9118
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	7122.35
Click to view 3D structure	Ceramide glucosyltransferase	Q16739	Humans	Predicted (SEA)	780.983
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	477.216
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	6003.89