Benzene, 2,4-dimethoxy-1-methyl-

HCID 96403CAS 38064-90-3

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Grundinformationen

Standard-SMILES: COc1ccc(C)c(OC)c1
InChIKey: OSNMRWURXNWCGA-UHFFFAOYSA-N
Summenformel: C9H12O2
Durchschnittliche Molmasse: 152,19 g/mol
Monoisotopische Masse: 152,08372962

Namen und Bezeichner

Bevorzugter Name: Benzene, 2,4-dimethoxy-1-methyl-
IUPAC: 2,4-dimethoxy-1-methylbenzene
Englischer Name: 2,4-DIMETHOXYTOLUENE
Summenformel: C9H12O2
Molmasse: 152.19

Namen und Synonyme

2,4-Dimethoxy-1-methylbenzeneBenzene, 2,4-dimethoxy-1-methyl-DTXSID70191474NSC 72351RefChem:562549DTXCID80113965609-515-0InChI=1/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H2,4-Dimethoxytoluene38064-90-3MFCD00010749NSC72351

Weitere Namen anzeigen

2,4-dimethoxymethylbenzeneBenzene, 1,3-dimethoxy-4-methyl

2,4-DIMETHOXY-1-METHYL-BENZENE2,4-Dimethoxytoluene, 99%SCHEMBL113300SCHEMBL113301SCHEMBL126703SCHEMBL140807SCHEMBL748238orb2939405

Datenbank-Bezeichner

CAS: 38064-90-3
PubChem CID: 96403
DTXSID: DTXSID70191474
EC Number: 609-515-0
Nikkaji: J633.419I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1244

Physikochemische Eigenschaften

Siedepunkt: 110 · 110-120 °C30 mm Hg(lit.)
Dichte: 1.036 g/mL · 1.036 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.524(lit.)
Flammpunkt: 199 °F · 199 °F
storage temp.: room temp
Aggregatzustand: liquid
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H3
InChIKey: OSNMRWURXNWCGA-UHFFFAOYSA-N
SMILES: COc1ccc(C)c(OC)c1
LogP: 2.76 · 2.760

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.