Octaethylene glycol mono(p-nonylphenyl) ether
Completing data — refresh the page later to see the latest
Basic information
- CAS
27177-05-5- Standard SMILES
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1- InChIKey
XXPRRHYTDCWGRP-UHFFFAOYSA-N- Molecular formula
- C31H56O9
- Average molar mass
- 572.8 g/mol
- Monoisotopic mass
- 572.39243336
Overview
The CIR Expert Panel concluded that the following 27 Nonoxynols listed below are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating..Nonoxynol-8...
Names & identifiers
- Preferred name
- Octaethylene glycol mono(p-nonylphenyl) ether
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- Brn 2492581
- Molecular formula
- C31H56O9
- Molecular weight
- 572.77
Names & synonyms
41506-14-3RefChem:1093770Octaethylene glycol mono(p-nonylphenyl) etherNonylbenzene-PEG8-OHNonoxynol-823-(4-Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-olRokafenol N-827177-05-523-(Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-olBRN 24925812-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-
Show more names
CAS_41506-14-33,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(4-nonylphenoxy)-1(1-Hydroxy-4,7,10,13,16,19,22-heptaoxa)tetracosyl-4-nonylbenzol
Nonoxynol 8Alfenolu 8Alphenol 8Nonylphenol octaethoxylate2-(2-(2-(2-(2-(2-(2-(2-(4-nonylphenoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanolEINECS 248-293-6Nonylphenol hepta(oxyethylene) ethanolNPEO8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 32
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Nonoxynol-8) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Surfactant
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 594.91 °C · 594.91°C (rough estimate)
- Density
- 1.031 · 1.0310 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- pka
- 14.36 · 14.36±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Toxicity
- 50 par-rat: · LD50 par-rat: 5585 mg/kg ANNPHR 10,23,73
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-
Hazard Traits - Endocrine Toxicity
SP - indicates a substance that is identified in a proposed Significant New Use Rule.
Substance: 23-(nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
Other Safety InformationIMAP assessments - Nonylphenol ethoxylates and their sulfate and phosphate esters: Environment tier II assessment
Hazard Classes and CategoriesAcute toxicity (ingestion) - category 4
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following 27 Nonoxynols listed below are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating..Nonoxynol-8...
Safe for use in cosmetics, with qualifications
Safety data
- Toxicity
- LD50 par-rat: 5585 mg/kg ANNPHR 10,23,73
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Nonoxynol-8
Use ClassificationCosmetics -> Emulsifying; Surfactant
General Manufacturing Information3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-: ACTIVE
Applications
UsesNonylbenzene-PEG8-OH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…