Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
Basic information
- CAS
7311-27-5- Standard SMILES
CCCCCCCCCc1ccc(OCCOCCOCCOCCO)cc1- InChIKey
UTXPMECBRCEYCI-UHFFFAOYSA-N- Molecular formula
- C23H40O5
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.28757437
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-4...
Names & identifiers
- Preferred name
- Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
- IUPAC
- 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
- English name
- 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
- Molecular formula
- C23H40O5
- Molecular weight
- 396.56
Names & synonyms
7311-27-5Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanolTetraethylene glycol mono(p-nonylphenyl) ether2-(2-(2-(2-(4-Nonylphenoxy)ethoxy)ethoxy)ethoxy)ethanolEINECS 230-770-5Ethanol, 2-(2-(2-(2-(4-nonylphenoxy)ethoxy)ethoxy)ethoxy)-Ethanol, 2-(2-(2-(2-(p-nonylphenoxy)ethoxy)ethoxy)ethoxy)-RefChem:200832Ethanol, 2-2-2-2-(4-nonylphenoxy)ethoxyethoxyethoxy-4-nonylphenol tetraethoxylateNonoxynol-4
Show more names
Igepal CO-430NONYLPHENOLETHOXYLATE-411-(p-Nonylphenoxy)-3,6,9-trioxa-1-undecanol4-n-Nonylphenol tetraethoxylate in isooctane11-(4-Nonylphenoxy)-3,6,9-trioxaundecane-1-ol11-(p-Nonylphenoxy)-3,6,9-trioxaundecane-1-ol12-(4-Nonylphenyl)-3,6,9,12-tetraoxadodecane-1-ol
2-(2-{2-[2-(4-nonylphenoxy)ethoxy]ethoxy}ethoxy)ethan-1-ol2-(2-(2-(2-(4-Nonylphenoxy)ethoxy)ethoxy)ethoxy)ethan-1-olNPEO4Nonylphenol-4-ethoxylatePEG-4 Nonyl phenyl ether4-n-Nonylphenol tetraethoxylateCHEMBL2107128DTXSID0064624
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Nonoxynol-4) -> CIR (Cosmetic Ingredient Review)
Surfactant; Emulsifying
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 480.24 °C · 480.24°C (rough estimate)
- Density
- 1.0245 · 1.0245 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 14.36 · 14.36±0.10(Predicted)
- Water Solubility
- 7.65 mg/L · 7.65mg/L(20 ºC)
- Cosmetics Ingredients Functions
- SURFACTANT - EMULSIFYING
- Substances of Very High Concern (SVHC) Candidate List
- 2 · 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol (7311-27-5)
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
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
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: Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
Hazard Traits - Endocrine Toxicity
SP - indicates a substance that is identified in a proposed Significant New Use Rule.
Substance: 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
Ethanol, 2-2-2-2-(4-nonylphenoxy)ethoxyethoxyethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Nonylphenol and octylphenol ethoxylates and related compounds: Human health tier II assessment
Hazard Classes and Categories
Acute toxicity (ingestion) - category 4
Skin corrosion/irritation - Category 2
Safety & protection
Protective Action Criteria (PAC)
3.9 [mg/m3]
43 [mg/m3]
260 [mg/m3]
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Nonoxynol-4
Household ProductsInformation on 29 consumer products that contain Nonoxynol-4 in the following categories is provided:
Use ClassificationCosmetics -> Surfactant; Emulsifying
General Manufacturing InformationEthanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-: ACTIVE
Applications
DescriptionNonoxynol-4 is the ethoxylated alkyl phenol that conforms generally to the formula, where n has an average value of 4.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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