Cyclohexylmethanol

Cyclohexanemethanol

HCID 7507CAS 100-49-2

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Grundinformationen

Standard-SMILES: OCC1CCCCC1
InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N
Summenformel: C7H14O
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,10446507

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: Cyclohexanemethanol
IUPAC: cyclohexylmethanol
Lokaler Name: Cyclohexylmethanol
Englischer Name: Cyclohexanemethanol
Summenformel: C7H14O
Molmasse: 114.19

Namen und Synonyme

CYCLOHEXANEMETHANOLCyclohexylmethanol100-49-2CyclohexylcarbinolCyclohexanecarbinolHexahydrobenzyl alcoholCyclohexylmethyl alcoholHydroxymethylcyclohexane4VDR6634UGNSC-5288DTXSID3059212RefChem:129720

Weitere Namen anzeigen

NSC 5288usafdo-492 ampules)Hexyl MethanolohexanemethanoLCyclohexylmethanecyclohexyl-methano

DTXCID4032453202-857-8Methanol, cyclohexyl-Benzyl alcohol, hexahydro-USAF DO-49(Hydroxymethyl)cyclohexaneMFCD00001510Cyclohexyl methanol

Datenbank-Bezeichner

CAS: 100-49-2
PubChem CID: 7507
DTXSID: DTXSID3059212
UNII: 4VDR6634UG
EC Number: 202-857-8
Nikkaji: J46.539I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 55,4

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid with a mild camphor odor; [Merck Index] Colorless viscous liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -43 °C · -43°C
Siedepunkt: 181 °C · 181 °C (lit.)
Dichte: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Soluble in Ether, Alcohols.
pka: 15.17 · 15.17±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Colourless
Merck: 14 · 14,2731
BRN: 773712 · 773712
Dielectric constant: 9.7 · 9.7(60℃)
InChI: 1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N
SMILES: OCC1CCCCC1
CAS Datenbank: 100 · 100-49-2(CAS DataBase Reference)
NIST chemische Informationen: Cyclohexanemethanol(100-49-2)
EPA chemische Informationen: Cyclohexanemethanol (100-49-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Cyclohexanemethanol

Cyclohexanemethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See 2-Cyclohexylethanol.

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29061900
RTECS-Nr.: GV5075000
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids
Selbstentzündungstemperatur: 330 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclohexanemethanol: ACTIVE

Anwendungen · 2 Einträge

BeschreibungCyclohexanemethanol is a cycloalkanol compound primarily used in organic synthesis for the preparation of other heterocyclic compounds. Under the action of a CaO catalyst (pre-calcined at 300°C), cyclohexanemethanol can be employed in ester exchange reactions to produce various fine chemicals, and is also utilised in the synthesis of polyester compounds.

VerwendenCyclohexanemethanol used as solvents, fuels . It is also used in pharmaceuticals, plasticizers, surfactants, lubricants, ore floatation agents, hydraulic fluids, and detergents.