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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 391
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
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
- 溶解性
- 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
- 酸解離定数(Pka)
- 9.4 · 9.40±0.40(Predicted)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- スキンコンディショニング
- 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の化学物質情報
- Cannabinol (521-35-7)
化学的性質
化学的特性thin platelets
安全と法規制
GHS分類
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.
危険有害性情報
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.
安全と保護具
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)
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
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
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
化合物ノート
読み込み中…