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Heterocyclic building blocks

Callitrin

Also known as (3R,3aR,5R,6R,7aR)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinylhexahydrobenzofuran-2(3H)-one, 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)-, (3R,3aR,5R,6R,7aR)-, 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)-, [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-

CAS 66964-63-4Formula C15H22O2Molar mass 234.34 g/mol
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Callitrin chemical structure, C15H22O2, CAS 66964-63-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66964-63-4
Formula
C15H22O2
Molar mass
234.34 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Callitrin?

Plain description, key identifiers and synonyms

Callitrin is a chemical substance with the molecular formula C15H22O2 and a molar mass of 234.34 g/mol. Its CAS registry number is 66964-63-4. The IUPAC name is (3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
CAS number
66964-63-4
Molecular formula
C15H22O2
InChIKey
HHMGIPSZHRMYCD-HVNMYJMUSA-N
InChI
InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
Canonical SMILES
C=CC1(C)CC2OC(=O)C(C)C2CC1C(=C)C
Isomeric SMILES
C[C@@H]1[C@H]2C[C@@H]([C@@](C[C@H]2OC1=O)(C)C=C)C(=C)C

Synonyms

  • (3R,3aR,5R,6R,7aR)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinylhexahydrobenzofuran-2(3H)-one
  • 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)-, (3R,3aR,5R,6R,7aR)-
  • 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)-, [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-
  • (3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
  • 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)-, (3R-(3alpha,3aalpha,5alpha,6beta,7aalpha))-

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
234.34 g/molcalc.
Exact mass
234.162 Dacalc.
LogP (octanol/water)
3.34calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=C1CC2CCCCC2O1

O=C1CC2CCCCC2O1

2 rings, 10 atoms, the 2(3H)-Benzofuranone, hexahydro- ring system.

45 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.

Callitrin suppliers

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Callitrin 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 Callitrin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Callitrin?

Callitrin is a chemical substance with the molecular formula C15H22O2 and a molar mass of 234.34 g/mol. Its CAS registry number is 66964-63-4. The IUPAC name is (3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one.

What is the CAS number of Callitrin?

The CAS registry number of Callitrin is 66964-63-4.

What is the molecular formula and weight of Callitrin?

The molecular formula of Callitrin is C15H22O2 and its molar mass is 234.34 g/mol.

What is Callitrin used for?

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

Is Callitrin hazardous?

No GHS hazard classification for Callitrin 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 Callitrin?

Callitrin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Callitrin?

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What is the price of Callitrin?

Suppliers quote Callitrin 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 Callitrin

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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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