(1r,4as,8as)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde (CED0174343)

Record Information

Version

1.0

Creation Date

2026-08-19 12:14:06 UTC

Update Date

2026-08-19 12:14:06 UTC

Accession Number

CHEM185806

Identification

Common Name

(1r,4as,8as)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde

Class

Small Molecule

Description

(1r,4as,8as)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde belongs to the organic oxides, a class of organic oxygen compounds within the organic compounds. This compound has the chemical formula C15H22O2 and an average molecular weight of 234.33 g/mol. It has been identified in two recorded sources: other smoking requisites within household cleaning and consumer products, and the preparation of wine or sparkling wine within food, food processing and cookware.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₂

Average Molecular Mass

234.330 g/mol

Monoisotopic Mass

234.162 g/mol

CAS Registry Number

6754-20-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1

InChI Key

AZJUJOFIHHNCSV-KCQAQPDRSA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0090000000-fbaaa1bdd8b04eece192	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05n0-4790000000-25e20bd6963db246d4f2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0673-9820000000-90e2811e34926f337a7e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-faceb915c42f0c1c1486	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-0190000000-c1efa051095819347cf8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kdu-3940000000-5fcf585aaafe92785e90	Not Available	View Spectrum

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
5682.0	Log mg/kg	[3200:10000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
643	Headwear	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	Transient receptor potential cation channel subfamily M member 2	E9PTA2	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Phospholipase A2	B7UUK1	Apis mellifera	Predicted (SEA)	0.0778492
Click to view 3D structure	Nucleoside diphosphate phosphatase ENTPD5	O75356	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Phospholipase A2	P00630	Apis mellifera	Predicted (SEA)	0.311397
Click to view 3D structure	Phospholipase A2, membrane associated	P14555	Humans	Predicted (SEA)	152.351
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	933.49
Click to view 3D structure	FUN14 domain-containing protein 1	Q8IVP5	Humans	Predicted (SEA)	7.78492
Click to view 3D structure	Protease	Q9YQ12	Human immunodeficiency virus 1	Predicted (SEA)	409.798
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 2	P17706	Humans	Predicted (SEA)	1046.06
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	979.888
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	761.365
Click to view 3D structure	Tubulin--tyrosine ligase	Q8NG68	Humans	Predicted (SEA)	2.64687
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	1175.6
Click to view 3D structure	Prostaglandin E synthase	O14684	Humans	Predicted (SEA)	2736.48
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	3481.88
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	6016.65
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	987.44
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7639.58
Click to view 3D structure	4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5	Q11128	Humans	Predicted (SEA)	8.87481
Click to view 3D structure	M-phase inducer phosphatase 1	P30304	Humans	Predicted (SEA)	593.756
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	141.218
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	2711.57
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	77.7714
Click to view 3D structure	Cholesteryl ester transfer protein	P11597	Humans	Predicted (SEA)	1023.48
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	5202.59