1-[(2-methylpropan-2-yl)oxy]propan-1-ol (CED0312151)

Record Information

Version

1.0

Creation Date

2026-09-01 11:08:09 UTC

Update Date

2026-09-01 11:08:09 UTC

Accession Number

CHEM357946

Identification

Common Name

1-[(2-methylpropan-2-yl)oxy]propan-1-ol

Class

Small Molecule

Description

1-[(2-methylpropan-2-yl)oxy]propan-1-ol is a chemical compound with the formula C7H16O2. It has an average molecular weight of 132.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₆O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

132.115 g/mol

CAS Registry Number

80763-10-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(O)OC(C)(C)C

InChI Identifier

InChI=1S/C7H16O2/c1-5-6(8)9-7(2,3)4/h6,8H,5H2,1-4H3

InChI Key

JJJTYYIVEITCFU-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
2646.0	Log mg/kg	[1500:4700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	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	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	31.9182
Click to view 3D structure	Papain	P00784	Carica papaya	Predicted (SEA)	2171.21
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	6106.8
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	1796.92
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	6427.39
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	7001.68
Click to view 3D structure	Procathepsin L	P25975	Bos taurus	Predicted (SEA)	1763.21
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7121.02
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7526.46
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7012.11
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	1314.09
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	7055.55
Click to view 3D structure	Cathepsin D	P80209	Bos taurus	Predicted (SEA)	1787.65
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7434.21
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	5217.38
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	7563.52
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7370.92
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7663.01
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	3829.95
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)	27.2472
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	61.8123
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	929.52
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	1775.66
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	4829.69
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	6706.55