Cannabinol
Grundinformationen
- CAS
521-35-7- Standard-SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2- InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N- Summenformel
- C21H26O2
- Durchschnittliche Molmasse
- 310,4 g/mol
- Monoisotopische Masse
- 310,19328007
Überblick
Leaflets. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Cannabinol
- IUPAC
- 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
- Englischer Name
- CANNABINOL
- Summenformel
- C21H26O2
- Molmasse
- 310.43
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
521-35-7- PubChem CID
- 2543
- DTXSID
DTXSID3048996- ChEMBL
CHEMBL74415- ChEBI
CHEBI:3360- UNII
- 7UYP6MC9GH
- EC Number
- 689-788-0
- Nikkaji
- J6.613C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 391
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-77°
- Siedepunkt
- 0.05 · bp0.05 185°
- Dichte
- 1.0865 · 1.0865 (rough estimate)
- Brechungsindex
- 1.49 · 1.4900 (estimate)
- Flammpunkt
- 11 °C · 11 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 50 mg/mlDMSO: · DMF: 50 mg/mlDMSO: 50 mg/mlDMSO: PBS(pH 7.2) (1:3): 0.25 mg/mlEthanol: 30 mg/mlMethanol: 30 mg/ml
- pka
- 9.4 · 9.40±0.40(Predicted)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChI
- 1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
- InChIKey
- VBGLYOIFKLUMQG-UHFFFAOYSA-N
- SMILES
- CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
- EPA chemische Informationen
- Cannabinol (521-35-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Reactivity Profile
CANNABINOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- wgk
- 1
- ridadr
- UN 1230 3/PG 2
- RTECS-Nr.
- HP8575000
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenA metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.
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