2-(p-Nonylphenoxy)ethanol

HCID 7700CAS 104-35-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCCCCCCc1ccc(OCCO)cc1
InChIKey: KUXGUCNZFCVULO-UHFFFAOYSA-N
Summenformel: C17H28O2
Durchschnittliche Molmasse: 264,4 g/mol
Monoisotopische Masse: 264,20893014

Überblick

Tergitol is a poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-nonylphenyl ether. It has a role as a nonionic surfactant. It is a poly(ethylene glycol) derivative and a hydroxypolyether.

Namen und Bezeichner

Bevorzugter Name: 2-(p-Nonylphenoxy)ethanol
IUPAC: 2-(4-nonylphenoxy)ethanol
Englischer Name: 4-Nonylphenol-mono-ethoxylate
Summenformel: C17H28O2
Molmasse: 264.4

Namen und Synonyme

2-(p-Nonylphenoxy)ethanolEthanol, 2-(4-nonylphenoxy)-ZMD36H3ESXRefChem:10619582-(4-nonylphenoxy)ethanolNonoxinol104-35-84-Nonyl Phenol Monoethoxylate4-Nonylphenol Monoethoxylate2-(4-nonylphenoxy)ethan-1-ol4-Nonylphenol-mono-ethoxylate4-nonylphenol ethoxylate

Weitere Namen anzeigen

4-n-Nonylphenol MonoethoxylateISOMERMIXP-N-NONYLPHENOL MONOETHOXYLATEETHYLENE GLYCOL MONO(P-NONYLPHENYL) ETHER4-n-Nonylphenol-mono-ethoxylate 10 μg/mL in Acetone4-n-Nonylphenol-mono-ethoxylate 10 μg/mL in Methanol4-n-Nonylphenol monoethoxylate@100 μg/mL in MethanolP-NONYLPHENOL MONOETHOXYLATE, UNLABELED (100UG/ML IN NONANE)

96827-63-34-Nonyl Phenol Monoethoxylate-d4DTXSID20365884-Nonylphenol branched ethoxylatedNonoxinol 9 CRSDelfen (TN)Nonoxynol 9 (USP)Nonoxynol 4 (USAN)

Datenbank-Bezeichner

CAS: 104-35-8
PubChem CID: 7700
DTXSID: DTXSID4058601
ChEMBL: CHEMBL1797943
ChEBI: CHEBI:53774
UNII: ZMD36H3ESX
Nikkaji: J592.103A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 11
Schwere Atome: 19
Formalladung: 0
Komplexität: 186

Experimentelle und physikochemische Eigenschaften

SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Siedepunkt: 367.63 °C · 367.63°C (rough estimate)
Dichte: 0.9716 · 0.9716 (rough estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Low-Melting Solid
pka: 14.29 · 14.29±0.10(Predicted)
Farbe: White to Brown
Wasserlöslichkeit: 3.384 mg/L · 3.384mg/L(25 ºC)
EPA chemische Informationen: 2 · Ethanol, 2-(4-nonylphenoxy)- (104-35-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P260, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationHazard Traits - Endocrine toxicity

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H312

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendenis used as analytical standard for environmental analysis. ISO/CD 18857-2 (International Organization for Standardization, Geneva) describes a new international standard method for the determination of o ctylphenol, nonylphenol, their mono- and diethyoxylates, and bisphenol A in nonfiltered samples of drinking, groundwater, surface water, and wastewater.