1-(1,3-dihydroxypropoxy)propane-1,3-diol (CED0194593)

Record Information

Version

1.0

Creation Date

2026-08-23 07:32:25 UTC

Update Date

2026-08-23 07:32:25 UTC

SynCED ID

CED0194593

Secondary Accession Numbers

CHEM229260

Identification

Common Name

1-(1,3-dihydroxypropoxy)propane-1,3-diol

Class

Small Molecule

Description

1-(1,3-dihydroxypropoxy)propane-1,3-diol belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C6H14O5 and an average molecular weight of 166.17 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₄O₅

Average Molecular Mass

166.170 g/mol

Monoisotopic Mass

166.084 g/mol

CAS Registry Number

72828-11-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H14O5/c7-3-1-5(9)11-6(10)2-4-8/h5-10H,1-4H2

InChI Key

CCUSSXRRNRRZLG-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
5393.0 Log mg/kg [3000:9600]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000694	Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.	Food, food processing & cookware	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.192 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 21 E-value 28.0257
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.192 Low confidence Statistical Significance 0.0557 Supporting Reference Compounds 30 E-value 433.698
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)	Prediction Confidence Score 0.161 Applicability Domain 0.161 Low confidence Statistical Significance 0.0117 Supporting Reference Compounds 1 E-value 91.0057
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 2 E-value 32.9302
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.159 Low confidence Statistical Significance 0.0067 Supporting Reference Compounds 1 E-value 52.159
Click to view 3D structure	G protein-activated inward rectifier potassium channel 1	P48549	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.159 Low confidence Statistical Significance 0.0258 Supporting Reference Compounds 1 E-value 200.54
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.188 Low confidence Statistical Significance 0.0238 Supporting Reference Compounds 21 E-value 185.125
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.171 Low confidence Statistical Significance 0.0333 Supporting Reference Compounds 18 E-value 259.549
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.188 Low confidence Statistical Significance 0.0152 Supporting Reference Compounds 25 E-value 118.019
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.6485
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 1 E-value 35.0322
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0119 Supporting Reference Compounds 1 E-value 92.6406
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.161 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 7 E-value 12.923
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0109 Supporting Reference Compounds 1 E-value 85.2449
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 2 E-value 19.8516
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.188 Low confidence Statistical Significance 0.0515 Supporting Reference Compounds 14 E-value 400.612
Click to view 3D structure	Glucosylceramidase	Q2KHZ8	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.158 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 4 E-value 25.3788
Click to view 3D structure	Phenylalanine--tRNA ligase alpha subunit	Q97S36	Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.137 Low confidence Statistical Significance 0.1 Supporting Reference Compounds 1 E-value 778.57
Click to view 3D structure	Phenylalanine--tRNA ligase alpha subunit	P43819	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.137 Low confidence Statistical Significance 0.1 Supporting Reference Compounds 1 E-value 778.57
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.143 Low confidence Statistical Significance 0.0128 Supporting Reference Compounds 2 E-value 99.5692
Click to view 3D structure	GIM-1 protein	Q704V1	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.14 Low confidence Statistical Significance 0.1929 Supporting Reference Compounds 2 E-value 1502.1
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q69ZF3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0187 Supporting Reference Compounds 1 E-value 145.422
Click to view 3D structure	Glucose-6-phosphate isomerase	Q9N1E2	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0095 Supporting Reference Compounds 1 E-value 73.6454
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0095 Supporting Reference Compounds 1 E-value 73.8789
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.135 Low confidence Statistical Significance 0.155 Supporting Reference Compounds 21 E-value 1206.35