Undecan-3-on

3-Undecanone

HCID 75189CAS 2216-87-7

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Grundinformationen

Standard-SMILES: CCCCCCCCC(=O)CC
InChIKey: YNMZZHPSYMOGCI-UHFFFAOYSA-N
Summenformel: C11H22O
Durchschnittliche Molmasse: 170,29 g/mol
Monoisotopische Masse: 170,16706532

Namen und Bezeichner

Bevorzugter Name: 3-Undecanone
IUPAC: undecan-3-one
Lokaler Name: Undecan-3-on
Englischer Name: 3-Undecanone
Summenformel: C11H22O
Molmasse: 170.29

Namen und Synonyme

3-UndecanoneUndecan-3-oneEthyl octyl ketoneEINECS 218-700-1DTXSID20176695NSC 158429Undecan3oneRefChem:95502DTXCID2099186218-700-1YNMZZHPSYMOGCI-UHFFFAOYSA-N2216-87-7

Weitere Namen anzeigen

3-hendecanoneUndecane-3-one3-Undecanone,98%3-UNDECANONE 98%Ethyloctylketone3-Undecanone, ≥ 85.0%

ETHYL n-OCTYL KETONEundecan-9-oneSCHEMBL888107SCHEMBL7806715SCHEMBL7840044SCHEMBL9114320CAA21687LMFA12000060

Datenbank-Bezeichner

CAS: 2216-87-7
PubChem CID: 75189
DTXSID: DTXSID20176695
EC Number: 218-700-1
Nikkaji: J121.214A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 8
Schwere Atome: 12
Formalladung: 0
Komplexität: 108

Experimentelle und physikochemische Eigenschaften

Physical DescriptionColorless liquid; mp = 12-13 deg C; [Alfa Aesar MSDS]

Kovats Retention Index · 3 Einträge

1268；1269

1255；1298；1283；1283

1586；1571；1555

Physikochemische Eigenschaften

Schmelzpunkt: 8 · 8-10°C
Siedepunkt: 225 · 225-229°C
Dichte: 0 · 0,832 g/cm3
Brechungsindex: 1.429 · 1.4290
Flammpunkt: 89 °C · 89°C
Löslichkeit: Insoluble in water, soluble in alcohol and oils
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow
Geruch (Odor): Fruity, aldehydic-herbal odor, more fruity than Methyl nonyl ketone and less.
BRN: 1749500 · 1749500
LogP: 4.034 · 4.034 (est)
CAS Datenbank: 2216 · 2216-87-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 104 reports by companies from 1 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.