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60113-11-3

60113-11-3 Structure

60113-11-3 Structure
IdentificationBack Directory
[Name]

CBDB
[CAS]

60113-11-3
[Synonyms]

CBDB
CBDB (CRM)
Cannabidiol C4
[Molecular Formula]

C20H28O2
[MOL File]

60113-11-3.mol
[Molecular Weight]

300.44
Chemical PropertiesBack Directory
[Boiling point ]

451.7±45.0 °C(Predicted)
[density ]

1.035±0.06 g/cm3(Predicted)
[solubility ]

DMF: 50 mg/ml
DMSO: 60 mg/ml
DMSO: PBS (pH 7.2) (1:3): 0.25 mg/ml
Ethanol: 35 mg/ml
[pka]

9.61±0.45(Predicted)
[InChI]

InChI=1/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/s3
[InChIKey]

WBRXESQKGXYDOL-XGTFWIOGNA-N
[SMILES]

C([C@@H]1CCC(C)=C[C@H]1C1C(=CC(CCCC)=CC=1O)O)(=C)C |&1:1,7,r|
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H301+H311+H331-H370
[Precautionary statements ]

P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
[WGK Germany ]

WGK 2
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Hazard InformationBack Directory
[Description]

CBDB (CRM) (Item No. 32719) is a certified reference material categorized as a phytocannabinoid.1 CBDB has been found in strains of Cannabis and hemp.1,2 CBDB is considered an impurity in commercial extractions of cannabidiol (CBD) from hemp.2 This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use.
[Description]

CBDB (Item No. 29031) is an analytical reference standard categorized as a phytocannabinoid.1 CBDB has been found in strains of Cannabis and hemp.1,2 CBDB is considered an impurity in commercial extractions of cannabidiol (CBD) from hemp.2 This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use.
[References]

[1] PASQUALE LINCIANO. Isolation of a High-Affinity Cannabinoid for the Human CB1 Receptor from a Medicinal Cannabis sativa Variety: Δ9-Tetrahydrocannabutol, the Butyl Homologue of Δ9-Tetrahydrocannabinol[J]. Journal of Natural Products , 2019, 83 1: 88-98. DOI: 10.1021/acs.jnatprod.9b00876
[2] CINZIA CITTI . Analysis of impurities of cannabidiol from hemp. Isolation, characterization and synthesis of cannabidibutol, the novel cannabidiol butyl analog[J]. Journal of pharmaceutical and biomedical analysis, 2019, 175: Article 112752. DOI: 10.1016/j.jpba.2019.06.049
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