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1972-08-3

1972-08-3 structural image
Product Name: DELTA9-TETRAHYDROCANNABINOL
Formula: C21H30O2
Synonyms: Δ1-Tetrahydrocannabinol;Δ9-Tetrahydrocannabinol solution;Dronabinol solution
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1-trans-delta-9-tetrahydrocannabinol appears as brown amorphous semi-solid, viscous oil or chunky golden yellow solid. (NTP, 1992)
Color/Form Light yellow resinous oil
Boiling Point 392 °F at 0.02 mmHg (NTP, 1992)
Melting Point 200 °C at 2.00E-02 mm Hg
Solubility 2.8 mg/L at 73 °F (NTP, 1992)
LogP 5.648
Stability/Shelf Life Readily degraded in acid solutions.
Optical Rotation Specific optical rotation: -150.5 deg at 20 °C/D (concentration = 0.53% in chloroform)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Dissociation Constants 10.6
Kovats Retention Index 2200
Other Experimental Properties Hardens upon refrigeration
Chemical Classes Biological Agents -> Plant Toxins

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 314.5 g/mol
XLogP3 7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 314.224580195 g/mol
Monoisotopic Mass 314.224580195 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 439
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-trans-delta-9-tetrahydrocannabinol appears as brown amorphous semi-solid, viscous oil or chunky golden yellow solid. (NTP, 1992)