2-Methylindanone

HCID 249262CAS 17496-14-9

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Grundinformationen

Standard-SMILES: CC1Cc2ccccc2C1=O
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
Summenformel: C10H10O
Durchschnittliche Molmasse: 146,19 g/mol
Monoisotopische Masse: 146,07316494

Namen und Bezeichner

Bevorzugter Name: 2-Methylindanone
IUPAC: 2-methyl-2,3-dihydroinden-1-one
Englischer Name: 2-METHYL-1-INDANONE
Summenformel: C10H10O
Molmasse: 146.19

Namen und Synonyme

2-Methyl-1-indanone2-Methyl-indan-1-one2-methylindanone1H-Inden-1-one, 2,3-dihydro-2-methyl-NSC-67345OS704F44DRDTXSID30290210RefChem:476092DTXCID602413562-METHYLINDANONE, (+-)-605-746-617496-14-9

Weitere Namen anzeigen

2-METHYL-INDANONE2-METHYL-1-INDANONE 97%(R,S)-2-Methyl-indan-1-one2,3-Dihydro-2-methyl-1H-inden-1-one, 1-Oxo-2-methylindane

2-Methyl-2,3-dihydro-1H-inden-1-one2-methylindan-1-one2-methyl-2,3-dihydroinden-1-oneMFCD001923032,3-Dihydro-2-methyl-1H-inden-1-one2-methyl-1-indanonNSC67345NCIOpen2_000118

Datenbank-Bezeichner

CAS: 17496-14-9
PubChem CID: 249262
DTXSID: DTXSID30290210
ChEMBL: CHEMBL155191
UNII: OS704F44DR
EC Number: 605-746-6
Nikkaji: J460.216A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-47.5 °C
Siedepunkt: 93 · 93-95 °C4 mm Hg(lit.)
Dichte: 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.555(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: liquid
Farbe: Yellow
InChI: InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)CC1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

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

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

wgk: 3
hs_code: 2914390090
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 23-26-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates