Cannabinol

HCID 2543

Basic information

CAS
521-35-7
Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N
Molecular formula
C21H26O2
Average molar mass
310.4 g/mol
Monoisotopic mass
310.19328007

Overview

Leaflets. (NTP, 1992)

Names & identifiers

Preferred name
Cannabinol
IUPAC
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
English name
CANNABINOL
Molecular formula
C21H26O2
Molecular weight
310.43

Names & synonyms

cannabinol521-35-7CannabinoloCannabinolumDTXSID30489966,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol7UYP6MC9GH6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-olNSC-134455
Show more names
CBNNSC 134455Cannabinol (CRM)cannabinol solutioncannabinolmethanolsolutionCannabinol (Alt. Batch CRM)Cannabinol, 1mg/ml in MethanolMethanol(test Cannabinol, 1.0 mg/mL)
3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-DTXCID3028922NSC1344556,6,9-trimethyl-3-pentylbenzo(c)chromen-1-olRefChem:388855Cannabinolo [DCIT]Cannabinol (CBN)

Database identifiers

CAS
521-35-7
PubChem CID
2543
DTXSID
DTXSID3048996
ChEMBL
CHEMBL74415
ChEBI
CHEBI:3360
UNII
7UYP6MC9GH
EC Number
689-788-0
Nikkaji
J6.613C

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
23

Experimental & physicochemical properties

Chemical ClassesStimulant
Drugs · 2 items

DEA NFLIS-Drug Category -> Cannabinoids

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
Human DrugsPharmaceuticals
Boiling Point365 °F at 0.05 mmHg (NTP, 1992)
Melting Point169 to 171 °F (NTP, 1992)

Physicochemical properties

Melting point
76 · 76-77°
Boiling point
0.05 · bp0.05 185°
Density
1.0865 · 1.0865 (rough estimate)
refractive index
1.49 · 1.4900 (estimate)
Flash point
11 °C · 11 °C
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 item

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.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety & protection

Fire FightingFires involving this compound should be controlled with dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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)

Safety data

wgk
1
rtecs
HP8575000
ridadr
UN 1230 3/PG 2
risk_code
11-23/24/25-39/23/24/25
Signal word
Danger
Symbol(GHS)
GHS02,GHS06,GHS08

Chemistry & industry

Uses & manufacturing

Use ClassificationPharmaceuticals

Applications

UsesA metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.

General DescriptionLeaflets.

Additional notes

DefinitionChEBI: Cannabinol is a dibenzopyran.

Related reactions

5 records

Compound notes

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