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Heterocyclic building blocks

Gregatin E

Also known as 3(2H)-Furanone, 4-acetyl-2-(5-hydroxy-1,3-hexadienyl)-5-methoxy-2-methyl-

CAS 58785-76-5Formula C14H18O5Molar mass 266.29 g/mol
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Gregatin E chemical structure, C14H18O5, CAS 58785-76-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58785-76-5
Formula
C14H18O5
Molar mass
266.29 g/mol
HS code
293219
Category
Heterocyclic building blocks

What is Gregatin E?

Plain description, key identifiers and synonyms

Gregatin E is a chemical substance with the molecular formula C14H18O5 and a molar mass of 266.29 g/mol. Its CAS registry number is 58785-76-5. The IUPAC name is 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one
CAS number
58785-76-5
Molecular formula
C14H18O5
InChIKey
VDFINAVPDXADRJ-KQQUZDAGSA-N
InChI
InChI=1S/C14H18O5/c1-9(15)7-5-6-8-14(3)12(17)11(10(2)16)13(18-4)19-14/h5-9,15H,1-4H3/b7-5+,8-6+
Canonical SMILES
COC1=C(C(C)=O)C(=O)C(C)(C=CC=CC(C)O)O1
Isomeric SMILES
CC(/C=C/C=C/C1(C(=O)C(=C(O1)OC)C(=O)C)C)O

Synonyms

  • 3(2H)-Furanone, 4-acetyl-2-(5-hydroxy-1,3-hexadienyl)-5-methoxy-2-methyl-

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
266.29 g/molcalc.
Exact mass
266.1154 Dacalc.
LogP (octanol/water)
1.28calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.43calc.
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=C1C=COC1

O=C1C=COC1

1 ring, 6 atoms, the 3(2H)-Furanone ring system.

110 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.

Gregatin E suppliers

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Gregatin E 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 Gregatin E is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Gregatin E, based on the data on this page

What is Gregatin E?

Gregatin E is a chemical substance with the molecular formula C14H18O5 and a molar mass of 266.29 g/mol. Its CAS registry number is 58785-76-5. The IUPAC name is 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one.

What is the CAS number of Gregatin E?

The CAS registry number of Gregatin E is 58785-76-5.

What is the molecular formula and weight of Gregatin E?

The molecular formula of Gregatin E is C14H18O5 and its molar mass is 266.29 g/mol.

What is Gregatin E used for?

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

Is Gregatin E hazardous?

No GHS hazard classification for Gregatin E 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 Gregatin E?

Gregatin E is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gregatin E?

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What is the price of Gregatin E?

Suppliers quote Gregatin E 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 Gregatin E

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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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