cannabielsoin Structure

cannabielsoin

Chemical Properties

Boiling point 426.5±45.0 °C(Predicted)
Density  1.089±0.06 g/cm3(Predicted)
storage temp.  -10 to -25°C
solubility  DMF: 50 mg/ml; DMSO: 60 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg; Ethanol: 35 mg/ml
pka 9.78±0.60(Predicted)
InChI 1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1
InChIKey RBEAVAMWZAJWOI-MTOHEIAKSA-N
SMILES O1[C@H]2[C@H]([C@@H](CC[C@@]2(O)C)C(=C)C)c3c1cc(cc3O)CCCCC
FDA UNII 2ERD6V6652
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H225-H301+H311+H331-H370
Precautionary statements P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
WGK Germany  WGK 2
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
NFPA 704:
3
2 0

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