1,2,3,4-Tetrahydronaphthalin-2-on

2-Tetralone

HCID 68266CAS 530-93-8

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Grundinformationen

Standard-SMILES: O=C1CCc2ccccc2C1
InChIKey: KCKZIWSINLBROE-UHFFFAOYSA-N
Summenformel: C10H10O
Durchschnittliche Molmasse: 146,19 g/mol
Monoisotopische Masse: 146,07316494

Namen und Bezeichner

Bevorzugter Name: 2-Tetralone
IUPAC: 3,4-dihydro-1H-naphthalen-2-one
Lokaler Name: 1,2,3,4-Tetrahydronaphthalin-2-on
Englischer Name: beta-Tetralone
Summenformel: C10H10O
Molmasse: 146.19

Namen und Synonyme

beta-Tetralone2-Tetralone530-93-81,2,3,4-Tetrahydro-2-naphthalenone2(1H)-Naphthalenone, 3,4-dihydro-3,4-Dihydro-2(1H)-naphthalenoneK46ZZ833BHNSC-87083DTXSID0060193RefChem:410527DTXCID1041340208-498-3

Weitere Namen anzeigen

β-Tetralone2(1H)-NaphthalenoneB-TETRALONE

1,2,3,4-Tetrahydronaphthalen-2-one3,4-dihydronaphthalen-2(1H)-one3,4-Dihydro-1H-naphthalen-2-one3,4-Dihydro-2-oxonaphthalene.beta.-TetraloneMFCD00001727CHEMBL1916643,4-Dihydro-2(1H)naphthalenone

Datenbank-Bezeichner

CAS: 530-93-8
PubChem CID: 68266
DTXSID: DTXSID0060193
ChEMBL: CHEMBL191664
UNII: K46ZZ833BH
EC Number: 208-498-3
Nikkaji: J6.975B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 162

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 18 °C · 18 °C(lit.)
Siedepunkt: 131 °C11 · 131 °C11 mm Hg(lit.)
Dichte: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.560(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid or Low Melting Solid
Farbe: Clear pale yellow
Wasserlöslichkeit: insoluble
BRN: 509386 · 509386
InChI: 1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
InChIKey: KCKZIWSINLBROE-UHFFFAOYSA-N
SMILES: O=C1CCc2ccccc2C1
CAS Datenbank: 530 · 530-93-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2(1H)-Naphthalenone, 3,4-dihydro-(530-93-8)
EPA chemische Informationen: 2 · 2-Tetralone (530-93-8)

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2(1H)-Naphthalenone, 3,4-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
tsca: TSCA listed
hs_code: 29143900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2(1H)-Naphthalenone, 3,4-dihydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwendenβ-Tetralone is the 2-keto derivative of Tetralin. β-Tetralone was initially reported to be a metabolite of Tetralin but was later found to be just an artifact in the metabolism process. β-Tetralone is known to be biological marker in fossil fuels.