3-Methyl-indan-1-one
Grundinformationen
- CAS
6072-57-7- Standard-SMILES
CC1CC(=O)c2ccccc21- InChIKey
XVTQSYKCADSUHN-UHFFFAOYSA-N- Summenformel
- C10H10O
- Durchschnittliche Molmasse
- 146,19 g/mol
- Monoisotopische Masse
- 146,07316494
Namen und Bezeichner
- Bevorzugter Name
- 3-Methyl-indan-1-one
- IUPAC
- 3-methyl-2,3-dihydroinden-1-one
- Englischer Name
- 3-Methylindan-1-one
- Summenformel
- C10H10O
- Molmasse
- 146.19
Namen und Synonyme
3-Methyl-indan-1-oneRefChem:504086692-376-36072-57-73-Methyl-1-indanone3-Methyl-2,3-dihydro-1H-inden-1-one3-Methylindan-1-One3-methyl-2,3-dihydroinden-1-one3-Methylindanone1H-Inden-1-one, 2,3-dihydro-3-methyl-1-Indanone, 3-methyl-MFCD00156725
Weitere Namen anzeigen
AKOS BC-03923-Methyl-1-indanone 99%(R,S)-3-Methyl-indan-1-one3-Methyl-2,3-dihydro-1H-indene-1-one2,3-Dihydro-3-methyl-1H-inden-1-one, 2,3-Dihydro-3-methyl-1-oxo-1H-indeneN-(2,4-difluorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
2,3-Dihydro-3-methyl-1H-inden-1-oneXJW7YA5CLTNSC-89554NSC89554UNII-XJW7YA5CLTSCHEMBL1815793-Methyl-1-indanone, 97%3-Methyl-1-indanone, 99%
Datenbank-Bezeichner
- CAS
6072-57-7- PubChem CID
- 259560
- DTXSID
DTXSID801358333- UNII
- XJW7YA5CLT
- EC Number
- 692-376-3
- Nikkaji
- J103.139B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 174
Physikochemische Eigenschaften
- Siedepunkt
- 70 · 70-72 °C/0.7 mmHg (lit.)
- Dichte
- 1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.558(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid
- InChI
- InChI=1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
- InChIKey
- XVTQSYKCADSUHN-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(C)C1
- CAS Datenbank
- 6072 · 6072-57-7(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Methyl-1-indanone (6072-57-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914390090
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden3-Methyl-1-indanone is suitable for the synthesis of branched alkyl indanes (BINs). It may be used in the following studies:Synthesis of 2,2,3-tribromo-2,3-dihydro-3-methylinden-1-one and 2-bromo-3-bromomethyl-1H-inden-1-one. As photosensitizers for the splitting of dimethylthymine dimers. As a model to verify three-phase model in enantioselective gas-liquid chromatography.(-)-(R)-3-methyl-1-indanone may be used as standard for comparing the optical rotatory dispersion curve with 1,3-dialkylindenes in the study of base-catalyzed 1,3 proton transfer in indene systems.As an optically active sensitizer to induce asymmetry in trans-1,2-diphenylcylcopropane (DPC). The dl-isomers of 3-methyl-1-indanone may be used in the synthesis of monomeric and trimeric 3-methyl-1-indanethione.
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