1-Methylcyclohexanol

HCID 11550CAS 590-67-0

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Grundinformationen

Standard-SMILES: CC1(O)CCCCC1
InChIKey: VTBOTOBFGSVRMA-UHFFFAOYSA-N
Summenformel: C7H14O
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,10446507

Überblick

1-Methylcyclohexanol is a tertiary alcohol.

Namen und Bezeichner

Bevorzugter Name: 1-Methylcyclohexanol
IUPAC: 1-methylcyclohexan-1-ol
Englischer Name: 11 -Methylcyclohexanol
Summenformel: C7H14O
Molmasse: 114.19

Namen und Synonyme

1-METHYLCYCLOHEXANOL590-67-0Cyclohexanol, 1-methyl-1-Methyl-1-cyclohexanolNSC 1247EINECS 209-688-9AI3-15917DTXSID00207739RefChem:76377DTXCID00130230209-688-9InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H

Weitere Namen anzeigen

VTBOTOBFGSVRMA-UHFFFAOYSA-N1-methylcyclohexan-1-ol1-methyl-cyclohexanolMFCD000038571-methyl-cyclohexan-1-ol1-Methylcyclohexanol, 96%SCHEMBL23176SCHEMBL41593

Datenbank-Bezeichner

CAS: 590-67-0
PubChem CID: 11550
DTXSID: DTXSID00207739
ChEBI: CHEBI:89474
EC Number: 209-688-9
Nikkaji: J150.873C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

LogP1.33

DensityRelative density (water = 1): 0.92

Flash Point67 °C

Boiling Point155 °C

Melting Point25 °C

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25 °C
Siedepunkt: 155 °C · 155 °C
Dichte: 0.92 g/cm3 · 0.92 g/cm3
pka: 15.38 · 15.38±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (89.8%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Cyclohexanol, 1-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Fire HazardsCombustible. Above 67 °C explosive vapour/air mixtures may be formed.

Hazard Classes and CategoriesFlam. Sol. 1 (89.8%)

Sicherheit und Schutzausrüstung

Fire FightingUse powder, AFFF, foam, carbon dioxide.

First Aid Measures · 3 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. If solid: sweep spilled substance into containers. If appropriate, moisten first to prevent dusting.

Fire PreventionNO open flames. Above 67 °C use a closed system and ventilation.