Cyclohexylmethyl 2-(4-phenylphenyl)acetate (CED0278073)

Record Information

Version

1.0

Creation Date

2026-08-30 06:33:47 UTC

Update Date

2026-08-30 06:33:47 UTC

SynCED ID

CED0278073

Secondary Accession Numbers

CHEM323359

Identification

Common Name

Cyclohexylmethyl 2-(4-phenylphenyl)acetate

Class

Small Molecule

Description

Cyclohexylmethyl 2-(4-phenylphenyl)acetate is a chemical compound with the formula C21H24O2. It has an average molecular weight of 308.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₂₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

308.178 g/mol

CAS Registry Number

1609672-24-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1CCC(CC1)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI Identifier

InChI=1S/C21H24O2/c22-21(23-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h2,5-6,9-14,18H,1,3-4,7-8,15-16H2

InChI Key

ATFHWZMCQLSDJW-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
3576.0 Log mg/kg [2000:6400]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000711	Coloured Pencils?Coloured pencils are commonly used tools for artistic expression and education, composed primarily of a wood casing and a core made from a mixture of pigments, binders, and waxes.	Paper, pulp & fiber products	Not Available
CEDs000716	Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.	Paper, pulp & fiber products	Not Available
CEDs000717	Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.	Paper, pulp & fiber products	Not Available
CEDs000720	Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.	Paper, pulp & fiber products	Not Available
CEDs000726	Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.	Paper, pulp & fiber products	Not Available
CEDs000729	Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.	Paper, pulp & fiber products	Not Available
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	Not Available

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	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.354 Statistical Significance 4.10e-04 Supporting Reference Compounds 1 E-value 3.19182
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.373 Statistical Significance 0.0048 Supporting Reference Compounds 102 E-value 37.2119
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.373 Statistical Significance 0.0025 Supporting Reference Compounds 76 E-value 19.6959
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.373 Statistical Significance 0.0012 Supporting Reference Compounds 56 E-value 9.41976
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.339 Statistical Significance 0.033 Supporting Reference Compounds 400 E-value 256.98
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.327 Statistical Significance 0.0222 Supporting Reference Compounds 294 E-value 172.981
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.327 Statistical Significance 0.1304 Supporting Reference Compounds 1498 E-value 1015.31
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.339 Statistical Significance 0.0222 Supporting Reference Compounds 269 E-value 172.67
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.407 Statistical Significance 0.0095 Supporting Reference Compounds 51 E-value 73.9568
Click to view 3D structure	Leukotriene B4 receptor 1	O88855	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.328 Statistical Significance 0.0019 Supporting Reference Compounds 63 E-value 14.5578
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.328 Statistical Significance 0.0178 Supporting Reference Compounds 141 E-value 138.494
Click to view 3D structure	Prolyl endopeptidase	P27028	Elizabethkingia meningoseptica	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.305 Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.8451
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.386 Statistical Significance 0.0779 Supporting Reference Compounds 668 E-value 606.757
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.373 Statistical Significance 0.0085 Supporting Reference Compounds 104 E-value 66.0161
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.31 Statistical Significance 0.0656 Supporting Reference Compounds 553 E-value 510.924
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.339 Statistical Significance 0.0398 Supporting Reference Compounds 292 E-value 309.996
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.333 Statistical Significance 0.0289 Supporting Reference Compounds 198 E-value 225.062
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.328 Statistical Significance 0.0281 Supporting Reference Compounds 167 E-value 218.834
Click to view 3D structure	Diacylglycerol lipase-alpha	Q9Y4D2	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.328 Statistical Significance 0.002 Supporting Reference Compounds 35 E-value 15.6477
Click to view 3D structure	Retinoid isomerohydrolase	Q28175	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.298 Low confidence Statistical Significance 4.70e-04 Supporting Reference Compounds 1 E-value 3.65891
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.339 Statistical Significance 0.0314 Supporting Reference Compounds 258 E-value 244.68
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.328 Statistical Significance 0.0035 Supporting Reference Compounds 81 E-value 27.4029
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.328 Statistical Significance 0.0285 Supporting Reference Compounds 173 E-value 221.948
Click to view 3D structure	Triacylglycerol hydrolase DDHD2	O94830	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.296 Low confidence Statistical Significance 4.00e-04 Supporting Reference Compounds 1 E-value 3.11397