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
Show more names
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
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
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
- solubility
- 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)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- 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
- FDA UNII
- 7 UYP6MC9GH · 7UYP6MC9GH
- NCI Drug Dictionary
- cannabinol
- EPA Substance Registry System
- Cannabinol (521-35-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H311-H331-H370-H301+H311+H331
- Precautionary statements
- 210 · P210-P260-P280-P301+P310-P311
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/24/25-39/23/24/25
- Safety Statements
- 7 · 7-16-36/37-45
- RIDADR
- 1230 · UN 1230 3/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 8575000 · HP8575000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralRepr · Acute Tox. 4 OralRepr. 2
Safety & regulation
GHS classification
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.
Hazard information
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.
Safety & protection
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)
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
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H301-H311-H331-H370-H301+H311+H331
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
- Precautionary statements
- P210-P260-P280-P301+P310-P311
Chemistry & industry
Uses & manufacturing
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
Compound notes
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