1-Ethylcyclohexanol

HCID 16021CAS 1940-18-7

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Grundinformationen

Standard-SMILES: CCC1(O)CCCCC1
InChIKey: BUCJHJXFXUZJHL-UHFFFAOYSA-N
Summenformel: C8H16O
Durchschnittliche Molmasse: 128,21 g/mol
Monoisotopische Masse: 128,12011513

Namen und Bezeichner

Bevorzugter Name: 1-Ethylcyclohexanol
IUPAC: 1-ethylcyclohexan-1-ol
Englischer Name: 1-Ethylcyclohexanol
Summenformel: C8H16O
Molmasse: 128.21

Namen und Synonyme

1-ETHYLCYCLOHEXANOL1940-18-7Cyclohexanol, 1-ethyl-1-ethyl-1-cyclohexanol1-Aethyl-cyclohexanol-(1)UNII-1VES5DBC5C1VES5DBC5CNSC 255501-Aethyl-cyclohexanol-(1) [German]BRN 2203222AI3-24895NSC-25550

Weitere Namen anzeigen

C8H16O1-ethyl-cyclohexano1-Ethylcyclohexanol >1-Ethylcyclohexane-1-ol

1-ethyl-1-hydroxycyclohexaneDTXSID701730184-06-00-00115 (Beilstein Handbook Reference)RefChem:75770DTXCID9095509BUCJHJXFXUZJHL-UHFFFAOYSA-N1-ethylcyclohexan-1-olMFCD00021402

Datenbank-Bezeichner

CAS: 1940-18-7
PubChem CID: 16021
DTXSID: DTXSID70173018
UNII: 1VES5DBC5C
EC Number: 621-537-2
Nikkaji: J72.714H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 82

Physikochemische Eigenschaften

Schmelzpunkt: 34.5 °C · 34.5°C
Siedepunkt: 168 °C · 168°C(lit.)
Dichte: 0.9227 · 0.9227
Brechungsindex: 1.464 to · 1.4640 to 1.4680
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 15.38 · 15.38±0.20(Predicted)
Farbe: Colorless to Light yellow
InChI: InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
InChIKey: BUCJHJXFXUZJHL-UHFFFAOYSA-N
SMILES: C1(CC)(O)CCCCC1
CAS Datenbank: 1940 · 1940-18-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · Cyclohexanol, 1-ethyl-(1940-18-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2A (100%)

Sicherheitsdaten

hs_code: 2906190090
RTECS-Nr.: GV9040000
risk_code: 36/37/38
Toxizität: mouse,LD50,intraperitoneal,840mg/kg (840mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.
safety_code: 26-36/37/39