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Initiators, curing agents and crosslinkers

Pentatroxane

Also known as Spiro(cyclopentane-1,3'-(7H)cyclopenta(1,2,4)trioxin), 4'a,7'a-dihydro-6',7'a-diphenyl-, (4'aS-cis)-, (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane], (4'aS,7'aS)-6',7'a-Diphenyl-7',7'a-dihydro-4'aH-spiro[cyclopentane-1,3'-cyclopenta[e][1,2,4]trioxine]

CAS 124378-33-2Formula C22H22O3Molar mass 334.42 g/mol
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Pentatroxane chemical structure, C22H22O3, CAS 124378-33-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124378-33-2
Formula
C22H22O3
Molar mass
334.42 g/mol
HS code
293299
Category
Initiators, curing agents and crosslinkers

What is Pentatroxane?

Plain description, key identifiers and synonyms

Pentatroxane is a chemical substance with the molecular formula C22H22O3 and a molar mass of 334.42 g/mol. Its CAS registry number is 124378-33-2. The IUPAC name is (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane].

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane]
CAS number
124378-33-2 CAS number cross-checked
Molecular formula
C22H22O3
InChIKey
IIBNWGMRDCFPEU-UNMCSNQZSA-N
InChI
InChI=1S/C22H22O3/c1-3-9-17(10-4-1)18-15-20-22(16-18,19-11-5-2-6-12-19)25-24-21(23-20)13-7-8-14-21/h1-6,9-12,15,20H,7-8,13-14,16H2/t20-,22-/m0/s1
Canonical SMILES
C1=C(c2ccccc2)CC2(c3ccccc3)OOC3(CCCC3)OC12
Isomeric SMILES
C1CCC2(C1)O[C@H]3C=C(C[C@]3(OO2)C4=CC=CC=C4)C5=CC=CC=C5

Synonyms

  • Spiro(cyclopentane-1,3'-(7H)cyclopenta(1,2,4)trioxin), 4'a,7'a-dihydro-6',7'a-diphenyl-, (4'aS-cis)-
  • (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane]
  • (4'aS,7'aS)-6',7'a-Diphenyl-7',7'a-dihydro-4'aH-spiro[cyclopentane-1,3'-cyclopenta[e][1,2,4]trioxine]
  • (4aS,7aS)-6,7a-Diphenylspiro[7,4a,7a-trihydrocyclopenta[2,1-e]1,2,4-trioxane-3,1'-cyclopentane]
  • 6',7'a-Diphenyl-7',7'a-dihydro-4'aH-spiro[cyclopentane-1,3'-cyclopenta[e][1,2,4]trioxine]

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
334.42 g/molcalc.
Exact mass
334.1569 Dacalc.
LogP (octanol/water)
4.99calc.
Topological polar surface area
27.69 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 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=C(c2ccccc2)CC2(c3ccccc3)OOC3(CCCC3)OC12

C1=C(c2ccccc2)CC2(c3ccccc3)OOC3(CCCC3)OC12

5 rings, 25 atoms.

1 other chemical 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.

Pentatroxane suppliers

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Pentatroxane price

Indicative price range per kg from live supplier offers

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

Frequently asked questions

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

What is Pentatroxane?

Pentatroxane is a chemical substance with the molecular formula C22H22O3 and a molar mass of 334.42 g/mol. Its CAS registry number is 124378-33-2. The IUPAC name is (4aS,7aS)-6,7a-diphenylspiro[4a,7-dihydrocyclopenta[e][1,2,4]trioxine-3,1'-cyclopentane].

What is the CAS number of Pentatroxane?

The CAS registry number of Pentatroxane is 124378-33-2.

What is the molecular formula and weight of Pentatroxane?

The molecular formula of Pentatroxane is C22H22O3 and its molar mass is 334.42 g/mol.

What is Pentatroxane used for?

Known uses and roles of Pentatroxane include initiators and catalysts in plastics and polymers and curing agents and crosslinkers in plastics and polymers.

Is Pentatroxane hazardous?

No GHS hazard classification for Pentatroxane 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 Pentatroxane?

Pentatroxane 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.

Where can I buy Pentatroxane?

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What is the price of Pentatroxane?

Suppliers quote Pentatroxane 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 Pentatroxane

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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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