5-Methoxy-2-tetralone

HCID 259194CAS 32940-15-1

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Grundinformationen

Standard-SMILES: COc1cccc2c1CCC(=O)C2
InChIKey: MDAIAXRTLTVEOU-UHFFFAOYSA-N
Summenformel: C11H12O2
Durchschnittliche Molmasse: 176,21 g/mol
Monoisotopische Masse: 176,08372962

Namen und Bezeichner

Bevorzugter Name: 5-Methoxy-2-tetralone
IUPAC: 5-methoxy-3,4-dihydro-1H-naphthalen-2-one
Englischer Name: 5-Methoxy-2-tetralone
Summenformel: C11H12O2
Molmasse: 176.21

Namen und Synonyme

5-Methoxy-2-tetralone5-methoxytetralin-2-one2(1H)-Naphthalenone, 3,4-dihydro-5-methoxy-V6V2G5MZ9DNSC-888805-methoxy-beta-tetralone2-OXO-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENEDTXSID202933565-METHOXY-.BETA.-TETRALONERefChem:536673DTXCID90244496457-080-9

Weitere Namen anzeigen

5-METHOXY-2-TETRALON5-Methoxyl-2-Tetralone5M2TNSC 888805-Methoxy-β-tetraloneMethoxy-2-tetralone,5-

608-804-932940-15-15-methoxy-3,4-dihydronaphthalen-2(1H)-one5-methoxy-3,4-dihydro-1H-naphthalen-2-oneMFCD00064958UNII-V6V2G5MZ9D3,4-Dihydro-5-methoxy-2(1H)-naphthalenone5-methoxy-1,2,3,4-tetrahydronaphthalen-2-one

Datenbank-Bezeichner

CAS: 32940-15-1
PubChem CID: 259194
DTXSID: DTXSID20293356
UNII: V6V2G5MZ9D
EC Number: 457-080-9、608-804-9
Nikkaji: J88.835D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 200

Physikochemische Eigenschaften

Schmelzpunkt: 32 · 32-36 °C (lit.)
Siedepunkt: 165 °C/10mmHg · 165°C/10mmHg(lit.)
Dichte: 1.124 · 1.124±0.06 g/cm3(Predicted)
Dampfdruck: 0.059 Pa · 0.059Pa at 25℃
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Aggregatzustand: Solid
Farbe: Yellowish Orange
BRN: 1451623 · 1451623
InChI: InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3
InChIKey: MDAIAXRTLTVEOU-UHFFFAOYSA-N
SMILES: C1C2=C(C(OC)=CC=C2)CCC1=O
LogP: 1.8 at · 1.8 at 25℃
CAS Datenbank: 32940 · 32940-15-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 27-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26240

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (50%)

Acute Tox. 4 (16.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1