Alkohol 3-phenoxybenzyl

3-Phenoxybenzyl alcohol

HCID 26295CAS 13826-35-2
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Grundinformationen

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:504782237-525-1MFCD00004636(3-phenoxy-phenyl)-methanolm-phenoxy-benzyl alcohol3-Phenoxylbenzyl alcohol

Datenbank-Bezeichner

CAS
13826-35-2
PubChem CID
26295
DTXSID
DTXSID7027756
ChEMBL
CHEMBL1869836
ChEBI
CHEBI:62527
UNII
04964J25DQ
EC Number
237-525-1
Nikkaji
J60.251E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds
Pesticides · 3 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

Chemical: Benzenemethanol, 3-phenoxy-

Status: Cease Manufacture Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17461

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 · 1 Eintrag

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
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 Einträge

3-Phenoxybenzyl alcohol

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3082 9 / PGIII
hs_code
29062990
RTECS-Nr.
DP0775400
risk_code
22

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites(3-Phenoxyphenyl)methanol is a known human metabolite of trans-Permethrin.

Verwendung und Herstellung

Use Classification · 2 Einträge

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Insecticides -> Pyrethroid insecticides -> Pyrethroid ester insecticides -> Transformation products

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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