1-Ethylcyclopentanol

HCID 137018CAS 1462-96-0

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Grundinformationen

Standard-SMILES: CCC1(O)CCCC1
InChIKey: LPCWIFPJLFCXRS-UHFFFAOYSA-N
Summenformel: C7H14O
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,10446507

Namen und Bezeichner

Bevorzugter Name: 1-Ethylcyclopentanol
IUPAC: 1-ethylcyclopentan-1-ol
Englischer Name: 1-Ethylcyclopentanol
Summenformel: C7H14O
Molmasse: 114.19

Namen und Synonyme

1-Ethylcyclopentanol1462-96-0Cyclopentanol, 1-ethyl-DTXSID40163305NSC 102769RefChem:75772DTXCID5085796622-831-3LPCWIFPJLFCXRS-UHFFFAOYSA-N1-ethylcyclopentan-1-olMFCD000192811-ethyl-1-cyclopentanol

Weitere Namen anzeigen

DK078yijihuanwuchun1-Ethylcyclopentano1-Ethylcyclopentanol>1-ETHYL-1-CYCLOPENTANOL1-Ethylcyclopentane-1-ol

NSC1027691-Ethylcyclopentanol, 96%1-Ethyl-1-hydroxycyclopentaneSCHEMBL305816SCHEMBL1036629SCHEMBL1838418SCHEMBL2293900SCHEMBL5009668

Datenbank-Bezeichner

CAS: 1462-96-0
PubChem CID: 137018
DTXSID: DTXSID40163305
EC Number: 622-831-3
Nikkaji: J99.907E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 72,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -10 °C · -10°C(lit.)
Siedepunkt: 153 °C · 153°C(lit.)
Dichte: 0.909 g/mL · 0.909 g/mL at 25 °C
Flammpunkt: 49 ° · 49°(120°F)
Brechungsindex: 1.457 · 1.4570
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
pka: 15.38 · 15.38±0.20(Predicted)
Farbe: Colorless to yellow
InChI: InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3
InChIKey: LPCWIFPJLFCXRS-UHFFFAOYSA-N
SMILES: C1(CC)(O)CCCC1
CAS Datenbank: 1462 · 1462-96-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Cyclopentanol, 1-ethyl-(1462-96-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993C 3 / PGIII
hs_code: 2906.19.5000
risk_code: 10-22-36
hazard_code: Xn
safety_code: 26
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3

Chemie und Industrie

Anwendungen

Verwenden1-Ethylcyclopentanol is a cyclic alcohol used in the production of cyclopentanol derivatives. These derivatives serve as intermediates for agrochemicals, pharmaceuticals, and flavors.

Darstellung

synthetischeWhen Grignard reagent (CH3CH2-Mgl) is added to ketone (C5H8O), it attacks the carbonyl carbon of ketone, and after protonation, it results in tertiary alcohol.Synthesis of 1-ethylcyclopentanol