(1-formyloxy-3-hydroxypropan-2-yl) acetate (CED0310598)

Record Information

Version

1.0

Creation Date

2026-09-01 08:52:18 UTC

Update Date

2026-09-01 08:52:18 UTC

SynCED ID

CED0310598

Secondary Accession Numbers

CHEM356317

Identification

Common Name

(1-formyloxy-3-hydroxypropan-2-yl) acetate

Class

Small Molecule

Description

(1-formyloxy-3-hydroxypropan-2-yl) acetate is a chemical compound with the formula C6H10O5. It has an average molecular weight of 162.14 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₀O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

162.053 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)OC(CO)COC=O

InChI Identifier

InChI=1S/C6H10O5/c1-5(9)11-6(2-7)3-10-4-8/h4,6-7H,2-3H2,1H3

InChI Key

OTBZCXAQBQMYNZ-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
6345.0 Log mg/kg [3600:11000]	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
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

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	Protein kinase C alpha type	P04409	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.381 Statistical Significance 1.30e-04 Supporting Reference Compounds 8 E-value 1.01204
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.341 Statistical Significance 0.2834 Supporting Reference Compounds 258 E-value 2206.09
Click to view 3D structure	Arabinose 5-phosphate isomerase KdsD	Q5NGP7	Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.267 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 2 E-value 11.2103
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.314 Statistical Significance 0.5196 Supporting Reference Compounds 373 E-value 4045.05
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.314 Statistical Significance 0.427 Supporting Reference Compounds 297 E-value 3324.01
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.314 Statistical Significance 0.293 Supporting Reference Compounds 109 E-value 2280.83
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.314 Statistical Significance 0.1965 Supporting Reference Compounds 98 E-value 1529.74
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.314 Statistical Significance 0.1217 Supporting Reference Compounds 38 E-value 947.191
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.314 Statistical Significance 0.1682 Supporting Reference Compounds 55 E-value 1309.81
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0394 Supporting Reference Compounds 1 E-value 306.959
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.289 Low confidence Statistical Significance 0.5916 Supporting Reference Compounds 175 E-value 4605.64
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.289 Low confidence Statistical Significance 0.6549 Supporting Reference Compounds 200 E-value 5098.19
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.2 Low confidence Statistical Significance 0.048 Supporting Reference Compounds 21 E-value 373.443
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.222 Low confidence Statistical Significance 0.7843 Supporting Reference Compounds 385 E-value 6105.79
Click to view 3D structure	6-phosphogluconate dehydrogenase, decarboxylating	P00349	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.267 Low confidence Statistical Significance 4.10e-04 Supporting Reference Compounds 2 E-value 3.19182
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.222 Low confidence Statistical Significance 0.7368 Supporting Reference Compounds 310 E-value 5736.16
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.289 Low confidence Statistical Significance 0.2725 Supporting Reference Compounds 83 E-value 2121.39
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.222 Low confidence Statistical Significance 0.741 Supporting Reference Compounds 266 E-value 5768.63
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.2 Low confidence Statistical Significance 0.1486 Supporting Reference Compounds 40 E-value 1157.23
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.289 Low confidence Statistical Significance 0.1885 Supporting Reference Compounds 39 E-value 1467.85
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.106 Supporting Reference Compounds 1 E-value 825.435
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.341 Statistical Significance 0.7299 Supporting Reference Compounds 189 E-value 5682.21
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.18 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.1702
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.189 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 2 E-value 17.9832