1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- (CED0182920)

Record Information

Version

1.0

Creation Date

2026-04-03 10:41:08 UTC

Update Date

2026-08-19 01:31:20 UTC

Accession Number

CHEM063713

Identification

Common Name

1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]-

Class

Small Molecule

Description

1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- is an organic oxygen compound with the chemical formula C13H18O2 and an average molecular weight of 206.28 g/mol. 1-Propanone, 2-hydroxy-2-methyl-1-[4-(1-methylethyl)phenyl]- belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from five recorded sources related to electrical and electronic equipment. These sources include antennas, discharge lamps, electric hearing aids, emergency protective devices, and video games.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₈O₂

Average Molecular Mass

206.285 g/mol

Monoisotopic Mass

206.131 g/mol

CAS Registry Number

69673-85-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)C1=CC=C(C=C1)C(=O)C(C)(C)O

InChI Identifier

InChI=1S/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3

InChI Key

QPXVRLXJHPTCPW-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
2146.0	Log mg/kg	[1200:3800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	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	Reverse transcriptase	Q06347	Human immunodeficiency virus 2	Predicted (SEA)	0.155698
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	91.6285
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	186.527
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	113.504
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	1367.42
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	554.754
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	313.966
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	66.4054
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	1510.51
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	1008.69
Click to view 3D structure	Solute carrier family 22 member 6	Q4U2R8	Humans	Predicted (SEA)	12.2223
Click to view 3D structure	Fatty acid-binding protein, liver	P02692	Rattus norvegicus	Predicted (SEA)	5.60514
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	506.876
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	576.162
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	213.852
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	1190.78
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	957.779
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	441.639
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	1005.58
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	604.499
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	1613.58
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	1411.09
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	3425.29
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	693.948
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	1897.03