Tetrapropylenebenzenesulphonic acid, sodium salt (CED0000389)

Record Information

Version

1.0

Creation Date

2026-04-06 15:53:30 UTC

Update Date

2026-04-06 15:53:30 UTC

Accession Number

CHEM126765

Identification

Common Name

Tetrapropylenebenzenesulphonic acid, sodium salt

Class

Small Molecule

Description

Tetrapropylenebenzenesulphonic acid, sodium salt belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 1,045 g/mol, Tetrapropylenebenzenesulphonic acid, sodium salt is a heavy molecule. It has the chemical formula C54H87Na3O9S3. This compound is classified within the benzenoids superclass. It has been identified in one recorded source, specifically within bleaching agents used in household cleaning and consumer products.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₄H₈₇Na₃O₉S₃

Average Molecular Mass

1045.430 g/mol

Monoisotopic Mass

1044.521 g/mol

CAS Registry Number

11067-82-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/3C18H30O3S.3Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);12,14-16H,2-11,13H2,1H3,(H,19,20,21);13-16H,2-12H2,1H3,(H,19,20,21);;;/q;;;3*+1/p-3

InChI Key

AVWQQPYHYQKEIZ-UHFFFAOYSA-K

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
1917.0	Log mg/kg	[1100:3400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
555	Bleaching Agents	Household cleaning & consumer products	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	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	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	6.07224
Click to view 3D structure	Macrophage scavenger receptor types I and II	P30204	Mus musculus	Predicted (SEA)	2.80257
Click to view 3D structure	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	P08487	Bos taurus	Predicted (SEA)	3.81461
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	502.439
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	314.9
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	432.92
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	8.56341
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31750	Mouse	Predicted (SEA)	3.11397
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	5.91654
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	644.202
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	112.959
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	783.942
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	1612.26
Click to view 3D structure	Uracil-DNA glycosylase	P13051	Humans	Predicted (SEA)	4.5931
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	403.415
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	768.06
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	115.606
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX12	P18054	Humans	Predicted (SEA)	10.5096
Click to view 3D structure	Trehalose-phosphatase	A8NS89	Brugia malayi	Predicted (SEA)	6.85073
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	131.877
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	588.229
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	482.977
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	566.275
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	51.6919
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	583.636