Alkohol 3-phenoxybenzyl
3-Phenoxybenzyl alcohol
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Grundinformationen
- CAS
13826-35-2- Standard-SMILES
OCc1cccc(Oc2ccccc2)c1- InChIKey
KGANAERDZBAECK-UHFFFAOYSA-N- Summenformel
- C13H12O2
- Durchschnittliche Molmasse
- 200,23 g/mol
- Monoisotopische Masse
- 200,08372962
Überblick
(3-phenoxyphenyl)methanol is a member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. It has a role as a marine xenobiotic metabolite. It is a member of benzyl alcohols and an aromatic ether.
Namen und Bezeichner
- Bevorzugter Name
- 3-Phenoxybenzyl alcohol
- IUPAC
- (3-phenoxyphenyl)methanol
- Lokaler Name
- Alkohol 3-phenoxybenzyl
- Englischer Name
- 3-Phenoxybenzyl alcohol
- Summenformel
- C13H12O2
- Molmasse
- 200.23
Namen und Synonyme
(3-Phenoxyphenyl)methanol3-Phenoxybenzyl alcohol13826-35-2m-Phenoxybenzyl alcohol3-Phenoxybenzenemethanol3-PhenoxybenzylalcoholBenzenemethanol, 3-phenoxy-3-(Hydroxymethyl)diphenyl etherBENZYL ALCOHOL, m-PHENOXY-DTXSID70277561-hydroxymethyl-3-phenoxybenzene04964J25DQ
Weitere Namen anzeigen
3-PBAmpbdMeta Phenoxy Benzal Alcohol3-Phenoxybenzy3-phenoxybenzylRARECHEM AL BD 00583-PhenoxyBenzalcoholPermethrinEPImpurityHYDROXYMETHYLDIPHENYL
DTXCID007756CHEBI:62527RefChem:504782237-525-1Permethrin EP Impurity CMFCD00004636(3-phenoxy-phenyl)-methanolm-phenoxy-benzyl alcohol
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 175
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Insecticides -> Pyrethroid insecticides -> Pyrethroid ester insecticides -> Transformation products
Pesticide degradation product
Physical DescriptionColorless or light yellow liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 4 · 4-7°C
- Siedepunkt
- 135 · 135-140 °C/0.1 mmHg (lit.)
- Dichte
- 1.149 g/mL · 1.149 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.1 mm · 0.1 mm Hg ( 37.7 °C)
- Brechungsindex
- 20 · n20/D 1.591(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 3-phenoxy-
REACH registered substance: 3-phenoxybenzylic alcohol (EC: 237-525-1)
Benzenemethanol, 3-phenoxy-: 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.
Hazards Summary
A mild eye irritant; Causes muscle weakness and dermatitis in dermal lethal-dose studies of rabbits; Causes effects to transaminases in inhalation lethal-concentration studies of rats; Causes other degenerative changes to brain in oral lethal-dose studies of mice; Causes somnolence, ataxia, and dyspnea in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Phenyl ether.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC (rat) = 2,000 mg/m3/1hr
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites(3-Phenoxyphenyl)methanol is a known human metabolite of trans-Permethrin.
Verwendung und Herstellung
Use Classification
Pesticides -> Insecticides -> Pyrethroid insecticides -> Pyrethroid ester insecticides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzenemethanol, 3-phenoxy-: ACTIVE
Anwendungen
Verwenden3-Phenoxybenzyl alcohol has been used in the synthesis of 3-phenoxylbenzyl β-D-glucuronide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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