Phenyl-m-tolylether

3-Phenoxytoluene

HCID 19165CAS 3586-14-9

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Grundinformationen

Standard-SMILES: Cc1cccc(Oc2ccccc2)c1
InChIKey: UDONPJKEOAWFGI-UHFFFAOYSA-N
Summenformel: C13H12O
Durchschnittliche Molmasse: 184,23 g/mol
Monoisotopische Masse: 184,088815

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 3-Phenoxytoluene
IUPAC: 1-methyl-3-phenoxybenzene
Lokaler Name: Phenyl-m-tolylether
Englischer Name: 3-Phenoxytoluene
Summenformel: C13H12O
Molmasse: 184.23

Namen und Synonyme

3-Phenoxytoluene1-Methyl-3-phenoxybenzene3586-14-9m-Phenoxytoluene3-Methyldiphenyl etherPhenyl m-tolyl etherBENZENE, 1-METHYL-3-PHENOXY-m-Methylphenyl phenyl ether3-Methylphenyl phenyl etherDTXSID80275372ZZI1Z67WRDTXCID407537

Weitere Namen anzeigen

C13H12O3-Phenoxytoluolphenylm-tolyl-etheMETA-PHENOXYTOLUENE3-Phenoxytoluene>PHENYL M-TOLYL ETHERPHENYL-3-TOLYL ETHER

RefChem:434240222-716-4Ether, phenyl m-tolylMFCD000085311-methyl-3-phenoxy-benzeneEther, phenyl m-tolyl-Permethrin EP Impurity AEINECS 222-716-4

Datenbank-Bezeichner

CAS: 3586-14-9
PubChem CID: 19165
DTXSID: DTXSID8027537
ChEMBL: CHEMBL3188057
UNII: 2ZZI1Z67WR
EC Number: 222-716-4
Nikkaji: J60.132B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 160 °C · 160 °C
Siedepunkt: 271 · 271-273 °C (lit.)
Dichte: 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.573(lit.)
Flammpunkt: 110 °C · >110°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear very slightly yellow
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. floral rose geranium
Geruchsart: fruity
BRN: 2045714 · 2045714
InChI: 1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey: UDONPJKEOAWFGI-UHFFFAOYSA-N
SMILES: Cc1cccc(Oc2ccccc2)c1
LogP: 5.043 · 5.043 (est)
CAS Datenbank: 3586 · 3586-14-9(CAS DataBase Reference)
EPA chemische Informationen: m-Phenoxytoluene (3586-14-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzene, 1-methyl-3-phenoxy-

Benzene, 1-methyl-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.

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG III
hs_code: 29093090
RTECS-Nr.: DA6142000
safety_code: 23-24/25
hazard_class: 9
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-methyl-3-phenoxy-: ACTIVE

Anwendungen

Verwendenm-Phenoxytoluene, is a Diaryl ethers, which are important intermediate of the pesticides, and are widely used in synthesis of insecticides such as pyrethroids, and fungicides such as Difenoconazole (D445370).