1,2,3,4-Tetrahydro-1,5-dimethylnaphthalin

1,5-Dimethyltetralin

HCID 89516CAS 21564-91-0

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Grundinformationen

Standard-SMILES: Cc1cccc2c1CCCC2C
InChIKey: BMADLDGHUBLVMQ-UHFFFAOYSA-N
Summenformel: C12H16
Durchschnittliche Molmasse: 160,25 g/mol
Monoisotopische Masse: 160,12520051

Überblick

1,5-dimethyltetralin is a member of the class of tetralins that is tetralin which is substituted by a methyl group at position 1 and at position 5. It is an ortho-fused bicyclic hydrocarbon and a member of tetralins. It derives from a hydride of a tetralin.

Namen und Bezeichner

Bevorzugter Name: 1,5-Dimethyltetralin
IUPAC: 1,5-dimethyl-1,2,3,4-tetrahydronaphthalene
Lokaler Name: 1,2,3,4-Tetrahydro-1,5-dimethylnaphthalin
Englischer Name: 1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene
Summenformel: C12H16
Molmasse: 160.26

Namen und Synonyme

1,5-Dimethyltetralin1,5-Dimethyl-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-1,5-dimethylnaphthalene1,5-Dimethyltetraline1,5-DMTEINECS 244-446-6Naphthalene, 1,2,3,4-tetrahydro-1,5-dimethyl-CHEBI:48650RefChem:73499244-446-6BMADLDGHUBLVMQ-UHFFFAOYSA-N21564-91-0

Weitere Namen anzeigen

SCHEMBL598145SCHEMBL29659736DTXSID10871324MFCD00128082AKOS015913319DA-08192NS000510861,5-dimethyl-1,2,3,4-tetrahydro-naphthalene

Datenbank-Bezeichner

CAS: 21564-91-0
PubChem CID: 89516
DTXSID: DTXSID10871324
ChEBI: CHEBI:48650
EC Number: 244-446-6
Nikkaji: J112.952J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Schmelzpunkt: -17.94 °C · -17.94°C (estimate)
Siedepunkt: 245 · 245-249 °C (lit.)
Dichte: 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.539(lit.)
Flammpunkt: 223 °F · 223 °F
InChI: 1S/C12H16/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3,5,8,10H,4,6-7H2,1-2H3
InChIKey: BMADLDGHUBLVMQ-UHFFFAOYSA-N
SMILES: CC1CCCc2c(C)cccc12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.