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Paraffins, waxes and cycloalkanes

Labdane

Also known as 2alpha,3alpha-Dihydroxy-labda-8(17),12(13),14(15)-triene, (1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene, (4aR,5S,6S,8aS)-1,1,4a,6-Tetramethyl-5-[(3R)-3-methylpentyl]decahydronaphthalene

CAS 561-90-0Formula C20H38Molar mass 278.52 g/mol
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Labdane chemical structure, C20H38, CAS 561-90-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
561-90-0
Formula
C20H38
Molar mass
278.52 g/mol
HS code
290219
Category
Paraffins, waxes and cycloalkanes

What is Labdane?

Plain description, key identifiers and synonyms

Labdane is a diterpene and a terpenoid fundamental parent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
CAS number
561-90-0 CAS number cross-checked
Molecular formula
C20H38
InChIKey
LEWJAHURGICVRE-AISVETHESA-N
InChI
InChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18+,20-/m1/s1
Canonical SMILES
CCC(C)CCC1C(C)CCC2C(C)(C)CCCC12C
Isomeric SMILES
CC[C@@H](C)CC[C@H]1[C@H](CC[C@@H]2[C@@]1(CCCC2(C)C)C)C

Synonyms

  • 2alpha,3alpha-Dihydroxy-labda-8(17),12(13),14(15)-triene
  • (1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
  • (4aR,5S,6S,8aS)-1,1,4a,6-Tetramethyl-5-[(3R)-3-methylpentyl]decahydronaphthalene

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
278.52 g/molcalc.
Exact mass
278.2974 Dacalc.
LogP (octanol/water)
6.69calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CCC2CCCCC2C1

C1CCC2CCCCC2C1

2 rings, 10 atoms, the Decalin ring system.

383 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.

Labdane suppliers

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Labdane price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Labdane?

Labdane is a diterpene and a terpenoid fundamental parent.

What is the CAS number of Labdane?

The CAS registry number of Labdane is 561-90-0.

What is the molecular formula and weight of Labdane?

The molecular formula of Labdane is C20H38 and its molar mass is 278.52 g/mol.

Is Labdane hazardous?

No GHS hazard classification for Labdane 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 Labdane?

Labdane is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Labdane?

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What is the price of Labdane?

Suppliers quote Labdane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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

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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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