Details
Stereochemistry | ACHIRAL |
Molecular Formula | C16H26O2 |
Molecular Weight | 250.3764 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1
InChI
InChIKey=JYCQQPHGFMYQCF-UHFFFAOYSA-N
InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
Molecular Formula | C16H26O2 |
Molecular Weight | 250.3764 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15162838Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26588039 | https://www.ncbi.nlm.nih.gov/pubmed/18522126 | https://www.ncbi.nlm.nih.gov/pubmed/15387642
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15162838
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26588039 | https://www.ncbi.nlm.nih.gov/pubmed/18522126 | https://www.ncbi.nlm.nih.gov/pubmed/15387642
OCTOXYNOL-1 is a nonionic surfactant that has a hydrophilic ethylene oxide chain and an aromatic hydrocarbon lipophilic or hydrophobic 4-(1,1,3,3-tetramethylbutyl)-phenyl group. OCTOXYNOL-1 is insoluble in water and soluble in common polar organic solvents. OCTOXYNOL-1 are being used in cosmetic products. Concentration of use data received from the cosmetics industry in 1999 and updated in 2001 indicate that the Octoxynols (their salts and organic acids included) are used in cosmetics at concentrations ranging from 0.0008% to 25%, and that most of the use concentrations are less than 5.0%. OCTOXYNOL-1 is a common environmental pollutant that displays weak estrogenic effects. OCTOXYNOL-1 has been shown to cause harm to the male reproductive system of vertebrates in particular among aquatic species where gonadal intersex, altered sex ratios, and reduced gonad size has been observed.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: GO:0030520 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18522126 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15162838
In a short-term dermal toxicity study, the following Octoxynols were applied to the skin of rabbits over a period of 4 weeks(20 applications total): 1% Octoxynol-1, 1% Octoxynol-3, 0.1% Octoxynol-9, and 0.1% Octoxynol-13. No abnormal changes were observed at histopathologic examination.
Route of Administration:
Topical
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15387642
HaCaT cells (1 x 104/200mkL/well) were seeded in 96-well plates and cultivated for 24 h. After being washed, OCTOXYNOL-1 (5 mkM) and arachidonic acid (10 mkM) were added for 24 h incubation. Finally, supernatants were collected for the determination of PGE2 by radioimmunoassay
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:45:20 GMT 2023
by
admin
on
Fri Dec 15 15:45:20 GMT 2023
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Record UNII |
20CAX7IO75
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Record Status |
Validated (UNII)
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