3,3,5,5-Tetramethylcyclohexanon

3,3,5,5-Tetramethylcyclohexanone

HCID 84399CAS 14376-79-5

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Grundinformationen

Standard-SMILES: CC1(C)CC(=O)CC(C)(C)C1
InChIKey: OQJMHUOCLRCSED-UHFFFAOYSA-N
Summenformel: C10H18O
Durchschnittliche Molmasse: 154,25 g/mol
Monoisotopische Masse: 154,13576519

Namen und Bezeichner

Bevorzugter Name: 3,3,5,5-Tetramethylcyclohexanone
IUPAC: 3,3,5,5-tetramethylcyclohexan-1-one
Lokaler Name: 3,3,5,5-Tetramethylcyclohexanon
Englischer Name: 3,3,5,5-TETRAMETHYLCYCLOHEXANONE
Summenformel: C10H18O
Molmasse: 154.25

Namen und Synonyme

3,3,5,5-Tetramethylcyclohexanone14376-79-5Cyclohexanone, 3,3,5,5-tetramethyl-EINECS 238-350-3DTXSID20162538NSC 91511RefChem:90750DTXCID1085029238-350-3InChI=1/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4HOQJMHUOCLRCSED-UHFFFAOYSA-N3,3,5,5-tetramethylcyclohexan-1-one

Weitere Namen anzeigen

3,3,5,5-Tetramethyl-1-cyclohexanone3,3,5,5-tetramethylcyclohexylone3,3,5,5-TetraMethylcyclohexanone 98%3,3,5,5-Tetramethylcyclohexanone,98%

MFCD000016403,3,5,5-Tetramethyl cyclohexanone3,3,5,5-tetramethyl-cyclohexanoneNSC91511NSC 91511;Cyclohexanone,3,3,5,5-tetramethyl-SCHEMBL638075SCHEMBL8051733

Datenbank-Bezeichner

CAS: 14376-79-5
PubChem CID: 84399
DTXSID: DTXSID20162538
EC Number: 238-350-3
Nikkaji: J142.889F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 11 · 11-12 °C
Siedepunkt: 200 · 200-203 °C
Dichte: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.451(lit.)
Flammpunkt: 164 °F · 164 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
BRN: 1237421 · 1237421
InChI: 1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3
InChIKey: OQJMHUOCLRCSED-UHFFFAOYSA-N
SMILES: CC1(C)CC(=O)CC(C)(C)C1
CAS Datenbank: 14376 · 14376-79-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.