기본 정보
- CAS
521-35-7- 표준 SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2- InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N- 분자식
- C21H26O2
- 평균 분자량
- 310.4 g/mol
- 단동위원소 질량
- 310.19328007
개요
Leaflets. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Cannabinol
- IUPAC
- 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
- 영어명
- CANNABINOL
- 분자식
- C21H26O2
- 분자량
- 310.43
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
521-35-7- PubChem CID
- 2543
- DTXSID
DTXSID3048996- ChEMBL
CHEMBL74415- ChEBI
CHEBI:3360- UNII
- 7UYP6MC9GH
- EC Number
- 689-788-0
- Nikkaji
- J6.613C
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 391
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
물리화학적 성질
- 녹는점
- 76 · 76-77°
- 끓는 점
- 0.05 · bp0.05 185°
- 밀도
- 1.0865 · 1.0865 (rough estimate)
- 굴절률
- 1.49 · 1.4900 (estimate)
- 인화점
- 11 °C · 11 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 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
- 산도 계수 (pKa)
- 9.4 · 9.40±0.40(Predicted)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 피부 컨디셔닝
- 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
- Cannabinol (521-35-7)
화학적 성질
thin platelets
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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)
안전 데이터
- 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
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도A metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.
일반 설명Leaflets.
관련 반응
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