CAS 6738-23-4 2,4-Dimethylanisole (HCID 81221)

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Grundinformationen

CAS: 6738-23-4
Standard-SMILES: COc1ccc(C)cc1C
InChIKey: UJCFZCTTZWHRNL-UHFFFAOYSA-N
Summenformel: C9H12O
Durchschnittliche Molmasse: 136,19 g/mol
Monoisotopische Masse: 136,088815

Überblick

2,4-Dimethylanisole is a member of methoxybenzenes.

Namen und Bezeichner

Bevorzugter Name: 2,4-Dimethylanisole
IUPAC: 1-methoxy-2,4-dimethylbenzene
Lokaler Name: 2,4-Dimethylanisol
Englischer Name: 2,4-Dimethylanisole
Summenformel: C9H12O
Molmasse: 136.19

Namen und Synonyme

2,4-Dimethylanisole6738-23-41-Methoxy-2,4-dimethylbenzeneBenzene, 1-methoxy-2,4-dimethyl-4-METHOXY-M-XYLENEUNII-5V1B5L4GK65V1B5L4GK6EINECS 229-794-9NSC-137834AI3-21151FEMA NO. 3828UJCFZCTTZWHRNL-UHFFFAOYSA-

Weitere Namen anzeigen

FEMA 38282,4-Dimethylanisol2,4-Dimethylanisole,99%2 4-DIMETHYLANISOLE 97+%1,3-DIMETHYL-4-METHOXYBENZENE2,4-dimethylbenzenemethylether2,4-dimethyl-,1-methoxy-Benzene

DTXSID602177332,4-DIMETHYLANISOLE [FHFI]NSC 137834RefChem:82525DTXCID10140224229-794-9InChI=1/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3UJCFZCTTZWHRNL-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 6738-23-4
PubChem CID: 81221
DTXSID: DTXSID60217733
ChEBI: CHEBI:167413

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.963-0.967

Flavoring AgentsEU Flavoring substances

Solubility · 3 Einträge

slightly

Slightly soluble in water, Miscible in oils

soluble (in ethanol)

Boiling Point · 2 Einträge

191.00 to 193.00 °C. @ 760.00 mm Hg

193 °C

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 69.5% (89 of 128) of all reports.

Danger

H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.