Cyclohexanone, 2-hydroxy-

HCID 10785CAS 30282-14-5

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Grundinformationen

Standard-SMILES: O=C1CCCCC1O
InChIKey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: Cyclohexanone, 2-hydroxy-
IUPAC: 2-hydroxycyclohexan-1-one
Englischer Name: 2-Hydroxycyclohexanone dimer
Summenformel: C6H10O2
Molmasse: 228.28

Namen und Synonyme

2-Hydroxycyclohexan-1-one2-HYDROXYCYCLOHEXANONE533-60-8Cyclohexanone, 2-hydroxy-2-Hydroxy-1-cyclohexanoneNSC 298536Cyclohexanone, 2-hydroxy-, dimerEINECS 208-570-4NSC 117392AI3-06549CHEBI:17878DTXSID10883427

Weitere Namen anzeigen

AKOS 924612-HYDROXY-CYCLOHEXANONE2-Hydroxycyclohexanonedimer,98%2-Hydroxycyclohexanone dimer 98%2-HYDROXYCYCLOHEXANONE, DIMER, 90+%2-Hydroxycyclohexanone dimer,Adipoin

2Hydroxy1cyclohexanone2Hydroxycyclohexan1oneCyclohexanone, 2hydroxyRefChem:580725DTXCID601022958208-570-4InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4HAdipoin

Datenbank-Bezeichner

CAS: 30282-14-5、533-60-8
PubChem CID: 10785
DTXSID: DTXSID10883427
ChEBI: CHEBI:17878
EC Number: 208-570-4
Nikkaji: J11.716A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 98

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

955；971

1643

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-107 °C(lit.)
Siedepunkt: 83 · 83-86 °C13 mm Hg(lit.)
Flammpunkt: 175 °F · 175 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Powder
Farbe: Off-white
Wasserlöslichkeit: Partly miscible in water.
InChI: 1S/C12H20O4/c13-11-7-3-1-5-9(11)15-12(14)8-4-2-6-10(12)16-11/h9-10,13-14H,1-8H2
InChIKey: OLLWHBLCQGPTMZ-UHFFFAOYSA-N
SMILES: OC12CCCCC1OC3(O)CCCCC3O2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee 3-Methylcyclohexanone and o-Methylcyclohexanone.

Regulatorische Informationen

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 9-21
wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 29144090
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 4.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclohexanone, 2-hydroxy-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenReactant involved in:• ;Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoates1• ;Tandem oxidation coupling reactions with diamines2• ;Asymmetric allylic alkylation of enolates3• ;Formate reduction of allylic carbonates for polypropionate systems4