Grundinformationen
- CAS
583-57-3- Standard-SMILES
CC1CCCCC1C- InChIKey
KVZJLSYJROEPSQ-UHFFFAOYSA-N- Summenformel
- C8H16
- Durchschnittliche Molmasse
- 112,21 g/mol
- Monoisotopische Masse
- 112,12520051
Überblick
RN given refers to parent cpd without isomeric designation
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Dimethylcyclohexane
- IUPAC
- 1,2-dimethylcyclohexane
- Lokaler Name
- 1,2-Dimethylcyclohexan
- Englischer Name
- 1,2-Dimethylcyclohexane
- Summenformel
- C8H16
- Molmasse
- 112.21
Namen und Synonyme
1,2-DIMETHYLCYCLOHEXANE583-57-35D8M6YR6O1DTXSID50858730NSC-43769RefChem:71980DTXCID50809464209-509-4Cyclohexane, 1,2-dimethyl-MFCD00064172Cyclohexane, 1,2-dimethyl- (cis/trans)Hexahydro-o-xylene
Weitere Namen anzeigen
hexadydro-o-xylene1,2-dimethylcyclohexane,mixtureofcisandtrans2,3-DIMETHYLCYCLOHEXANE1,2-dlmethylcyclohexane1, 2-dimethylcycloethanecyclohexane,1,2-dimethyl-
Cyclohexane, 1,2-dimethyl-; 1,2-Dimethylcyclohexane; NSC 43769; o-DimethylcyclohexaneEINECS 209-509-4o-DimethylcyclohexaneNSC 43769Cyclohexane,2-dimethyl-1,2-dimethyl-cyclohexaneSCHEMBL4468UNII-5D8M6YR6O1
Datenbank-Bezeichner
- CAS
583-57-3- PubChem CID
- 11416
- DTXSID
DTXSID50858730- EC Number
- 209-509-4
- Nikkaji
- J72.704K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 56,4
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Vapor Pressure14.5 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -71.62 °C · -71.62°C (estimate)
- Siedepunkt
- 127 · 127-130 °C(lit.)
- Dichte
- 0.793 g/mL · 0.793 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.434
- Flammpunkt
- 60 °F · 60 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Odor Threshold
- 0.26 ppm · 0.26ppm
- Wasserlöslichkeit
- 6.795 mg/L · 6.795mg/L(30 ºC)
- BRN
- 1900320 · 1900320
- Henry's Law Constant
- 2.8 · 2.8×10-5 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- 1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3
- InChIKey
- KVZJLSYJROEPSQ-UHFFFAOYSA-N
- SMILES
- CC1CCCCC1C
- CAS Datenbank
- 583 · 583-57-3(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Cyclohexane, 1,2-dimethyl- (583-57-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryAn irritant; Harmful by ingestion (may cause lung damage by aspiration); Vapors may have a narcotic effect (drowsiness and dizziness); [Alfa Aesar MSDS] See Cyclohexane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2263 3/PG 2
- hs_code
- 29021900
- risk_code
- 11-65
- hazard_code
- F,Xn
- safety_code
- 9-16-33-62
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 2
Chemie und Industrie
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