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Aliphatic and alicyclic building blocks

Torulene

Also known as Torulin, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene, 2-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl)-1,3,3-trimethylcyclohexene

CAS 547-23-9Formula C40H54Molar mass 534.87 g/mol
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Torulene chemical structure, C40H54, CAS 547-23-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
547-23-9
Formula
C40H54
Molar mass
534.87 g/mol
HS code
290219
Category
Aliphatic and alicyclic building blocks

What is Torulene?

Plain description, key identifiers and synonyms

Torulene is a carotene that is beta,-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position. It is a carotene and a polyene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene
CAS number
547-23-9 CAS number cross-checked
Molecular formula
C40H54
UNII
7KKR9CWX9P
InChIKey
AIBOHNYYKWYQMM-MXBSLTGDSA-N
InChI
InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
Canonical SMILES
CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Isomeric SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C

Synonyms

  • Torulin
  • 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene
  • 2-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl)-1,3,3-trimethylcyclohexene
  • 3',4'-Didehydro-beta,psi-carotene
  • beta,psi-Carotene, 3',4'-didehydro-
  • all-trans-Torulene
  • (3'E)-3',4'-didehydro-beta,psi-carotene
  • (3'Z)-3',4'-Didehydro-beta,psi-carotene
  • 3,4-Didehydro-beta,psi-carotene
  • beta,psi-carotene, 3,4-didehydro-
  • gamma-carotene, 3,4-didehydro-, all-trans-

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
534.87 g/molcalc.
Exact mass
534.4226 Dacalc.
LogP (octanol/water)
12.55calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
12calc.
Heavy atoms
40calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)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, C1=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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.

Torulene suppliers

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Torulene price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

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 Torulene 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 Torulene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Torulene?

Torulene is a carotene that is beta,-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position. It is a carotene and a polyene.

What is the CAS number of Torulene?

The CAS registry number of Torulene is 547-23-9.

What is the molecular formula and weight of Torulene?

The molecular formula of Torulene is C40H54 and its molar mass is 534.87 g/mol.

What is Torulene used for?

Known uses and roles of Torulene include building blocks in research and laboratory.

Is Torulene hazardous?

No GHS hazard classification for Torulene 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 Torulene?

Torulene 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 Torulene?

Post a free request on CompoundList and suppliers of Torulene will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Torulene?

Suppliers quote Torulene 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 Torulene

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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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