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Screening compounds

Hexahydrocannabinol

Also known as 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-, 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,9R,10aR)-, 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-(VAN)

CAS 946512-74-9Formula C21H32O2Molar mass 316.49 g/mol
Prohibited, not for trade
Why it is not for trade
Hexahydrocannabinol chemical structure, C21H32O2, CAS 946512-74-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
946512-74-9
Formula
C21H32O2
Molar mass
316.49 g/mol
HS code
293299
Category
Screening compounds

What is Hexahydrocannabinol?

Plain description, key identifiers and synonyms

Hexahydrocannabinol is a chemical substance with the molecular formula C21H32O2 and a molar mass of 316.49 g/mol. Its CAS registry number is 946512-74-9. The IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CAS number
946512-74-9
Molecular formula
C21H32O2
UNII
D4K2ZLP4DT
InChIKey
XKRHRBJLCLXSGE-VNCLPFQGSA-N
InChI
InChI=1S/C21H32O2/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/h12-14,16-17,22H,5-11H2,1-4H3/t14?,16-,17-/m1/s1
Canonical SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC21
Isomeric SMILES
CCCCCC1=CC(=C2[C@@H]3CC(CC[C@H]3C(OC2=C1)(C)C)C)O

Synonyms

  • 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-
  • 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,9R,10aR)-
  • 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-(VAN)
  • 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-
  • 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-
  • Dihydrocannabinol ((+/-)-trans-Hexahydrocannabinol)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
316.49 g/molcalc.
Exact mass
316.2402 Dacalc.
LogP (octanol/water)
5.82calc.
Topological polar surface area
29.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)OCC1CCCCC21

c1ccc2c(c1)OCC1CCCCC21

3 rings, 14 atoms.

44 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Hexahydrocannabinol suppliers

Trading restrictions apply to this substance

New psychoactive substance

Hexahydrocannabinol is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Hexahydrocannabinol (HHC)

Reference: UN 1971 Convention (scheduled new psychoactive substance) or designer drug

Our policy on controlled substances

Hexahydrocannabinol price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

New psychoactive substance

Hexahydrocannabinol is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Hexahydrocannabinol (HHC)

Reference: UN 1971 Convention (scheduled new psychoactive substance) or designer drug

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexahydrocannabinol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexahydrocannabinol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexahydrocannabinol, based on the data on this page

What is Hexahydrocannabinol?

Hexahydrocannabinol is a chemical substance with the molecular formula C21H32O2 and a molar mass of 316.49 g/mol. Its CAS registry number is 946512-74-9. The IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.

What is the CAS number of Hexahydrocannabinol?

The CAS registry number of Hexahydrocannabinol is 946512-74-9.

What is the molecular formula and weight of Hexahydrocannabinol?

The molecular formula of Hexahydrocannabinol is C21H32O2 and its molar mass is 316.49 g/mol.

What is Hexahydrocannabinol used for?

Known uses and roles of Hexahydrocannabinol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hexahydrocannabinol hazardous?

No GHS hazard classification for Hexahydrocannabinol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Hexahydrocannabinol?

Hexahydrocannabinol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Can I buy Hexahydrocannabinol on CompoundList?

No. Hexahydrocannabinol is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Hexahydrocannabinol

Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page

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