6,6,9-トリメチル-3-ペンチル-6H-ジベンゾ[b,d]ピラン-1-オール

Cannabinol

HCID 2543

基本情報

CAS
521-35-7
標準SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N
分子式
C21H26O2
平均分子量
310.4 g/mol
単同位体質量
310.19328007

概要

Leaflets. (NTP, 1992)

名称と識別子

優先名称
Cannabinol
IUPAC
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
現地名
6,6,9-トリメチル-3-ペンチル-6H-ジベンゾ[b,d]ピラン-1-オール
英語名
CANNABINOL
分子式
C21H26O2
分子量
310.43

名称と別名

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
名称をさらに表示
カンナビノール6,6,9-トリメチル-3-ペンチル-6H-ジベンゾ[b,d]ピラン-1-オールカンナビノール 溶液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)

データベース識別子

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

物性

構造計算による物性

XLogP
6.1
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
4
重原子数
23

実験および物理化学的性質

Chemical ClassesStimulant
Drugs · 2 件

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)

物理化学的性質

融点
76 · 76-77°
沸点
0.05 · bp0.05 185°
比重(密度)
1.0865 · 1.0865 (rough estimate)
屈折率
1.49 · 1.4900 (estimate)
闪点
11 °C · 11 °C
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性thin platelets

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

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%)

安全と保護具

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

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 件

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 件

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)

安全データ

wgk
1
rtecs
HP8575000
ridadr
UN 1230 3/PG 2
risk_code
11-23/24/25-39/23/24/25
hazard_code
F,T
safety_code
7-16-36/37-45

化学と産業

用途と製造

Use ClassificationPharmaceuticals

応用分野

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

一般的な説明Leaflets.

調製方法

純化方法Cannabinol crystallises from pet ether and sublimes in a vacuum. [Meitzer et al. Synthesis 985 1981, Beilstein 17 II 151, 17 III/IV 1652.]

関連反応

5 件

化合物ノート

読み込み中…