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Heterocyclic building blocks

SC 33459

Also known as 2H-Pyran-2-one, 6-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)tetrahydro-4-hydroxy-, trans-, (4R,6R)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one, 6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one

CAS 81329-72-8Formula C17H24O3Molar mass 276.38 g/mol
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SC 33459 chemical structure, C17H24O3, CAS 81329-72-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81329-72-8
Formula
C17H24O3
Molar mass
276.38 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is SC 33459?

Plain description, key identifiers and synonyms

SC 33459 is a chemical substance with the molecular formula C17H24O3 and a molar mass of 276.38 g/mol. Its CAS registry number is 81329-72-8. The IUPAC name is (4R,6R)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,6R)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one
CAS number
81329-72-8 CAS number cross-checked
Molecular formula
C17H24O3
InChIKey
CRVLDJMCJOJHBY-HUUCEWRRSA-N
InChI
InChI=1S/C17H24O3/c1-17(2,3)13-7-4-12(5-8-13)6-9-15-10-14(18)11-16(19)20-15/h4-5,7-8,14-15,18H,6,9-11H2,1-3H3/t14-,15-/m1/s1
Canonical SMILES
CC(C)(C)c1ccc(CCC2CC(O)CC(=O)O2)cc1
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)CC[C@@H]2C[C@H](CC(=O)O2)O

Synonyms

  • 2H-Pyran-2-one, 6-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)tetrahydro-4-hydroxy-, trans-
  • (4R,6R)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one
  • 6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one

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
276.38 g/molcalc.
Exact mass
276.1725 Dacalc.
LogP (octanol/water)
2.98calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
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, O=C1CCCC(CCc2ccccc2)O1

O=C1CCCC(CCc2ccccc2)O1

2 rings, 15 atoms, the 6-Phenethyltetrahydro-2H-pyran-2-one ring system.

6 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.

SC 33459 suppliers

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SC 33459 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 SC 33459 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 SC 33459 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SC 33459, based on the data on this page

What is SC 33459?

SC 33459 is a chemical substance with the molecular formula C17H24O3 and a molar mass of 276.38 g/mol. Its CAS registry number is 81329-72-8. The IUPAC name is (4R,6R)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one.

What is the CAS number of SC 33459?

The CAS registry number of SC 33459 is 81329-72-8.

What is the molecular formula and weight of SC 33459?

The molecular formula of SC 33459 is C17H24O3 and its molar mass is 276.38 g/mol.

What is SC 33459 used for?

Known uses and roles of SC 33459 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SC 33459 hazardous?

No GHS hazard classification for SC 33459 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 SC 33459?

SC 33459 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SC 33459?

Post a free request on CompoundList and suppliers of SC 33459 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SC 33459?

Suppliers quote SC 33459 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 SC 33459

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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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