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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
Structure of OCTOXYNOL-1

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

HIDE SMILES / InChI

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

Description
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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

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
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 Fri Dec 15 15:45:20 GMT 2023
Edited
by admin
on Fri Dec 15 15:45:20 GMT 2023
Record UNII
20CAX7IO75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTOXYNOL-1
II   INCI  
INCI  
Official Name English
IGEPAL CA-210
Brand Name English
OCTOXYNOL 1
VANDF  
Common Name English
OCTOXYNOL 1 [VANDF]
Common Name English
TRITON X-15 SURFACTANT
Brand Name English
2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHANOL
Systematic Name English
OCTOXYNOL-1 [INCI]
Common Name English
P-TERT-OCTYLPHENYL (2-HYDROXYETHYL)ETHER
Common Name English
2-(4-TERT-OCTYLPHENOXY)ETHANOL
Systematic Name English
OCTOXYNOL-1 [II]
Common Name English
TRITON X-15
Brand Name English
NSC-5259
Code English
Code System Code Type Description
PUBCHEM
5590
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY
DAILYMED
20CAX7IO75
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY
FDA UNII
20CAX7IO75
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY
CAS
2315-67-5
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY
RXCUI
1368185
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY RxNorm
NSC
5259
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID1058680
Created by admin on Fri Dec 15 15:45:21 GMT 2023 , Edited by admin on Fri Dec 15 15:45:21 GMT 2023
PRIMARY