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Heterocyclic building blocks

Npc131852

Also known as Z-6,7-Epoxyligustilide, epoxyligustilide, (Z)-6,7-epoxyligustilide

CAS 106533-40-8Formula C12H14O3Molar mass 206.24 g/mol
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Npc131852 chemical structure, C12H14O3, CAS 106533-40-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
106533-40-8
Formula
C12H14O3
Molar mass
206.24 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Npc131852?

Plain description, key identifiers and synonyms

Npc131852 is a chemical substance with the molecular formula C12H14O3 and a molar mass of 206.24 g/mol. Its CAS registry number is 106533-40-8. The IUPAC name is (4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one
CAS number
106533-40-8Other or deprecated CAS: 210036-10-5
Molecular formula
C12H14O3
InChIKey
ZCTBULGQERTBEG-YWEYNIOJSA-N
InChI
InChI=1S/C12H14O3/c1-2-3-4-8-7-5-6-9-11(14-9)10(7)12(13)15-8/h4,9,11H,2-3,5-6H2,1H3/b8-4-
Canonical SMILES
CCCC=C1OC(=O)C2=C1CCC1OC21
Isomeric SMILES
CCC/C=C\1/C2=C(C3C(O3)CC2)C(=O)O1

Synonyms

  • Z-6,7-Epoxyligustilide
  • epoxyligustilide
  • (Z)-6,7-epoxyligustilide

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
206.24 g/molcalc.
Exact mass
206.0943 Dacalc.
LogP (octanol/water)
2.08calc.
Topological polar surface area
38.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
15calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
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, C=C1OC(=O)C2=C1CCC1OC21

C=C1OC(=O)C2=C1CCC1OC21

3 rings, 12 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.

Npc131852 suppliers

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Npc131852 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 Npc131852 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 Npc131852 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc131852, based on the data on this page

What is Npc131852?

Npc131852 is a chemical substance with the molecular formula C12H14O3 and a molar mass of 206.24 g/mol. Its CAS registry number is 106533-40-8. The IUPAC name is (4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one.

What is the CAS number of Npc131852?

The CAS registry number of Npc131852 is 106533-40-8. Other or deprecated CAS numbers: 210036-10-5.

What is the molecular formula and weight of Npc131852?

The molecular formula of Npc131852 is C12H14O3 and its molar mass is 206.24 g/mol.

What is Npc131852 used for?

Known uses and roles of Npc131852 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc131852 hazardous?

No GHS hazard classification for Npc131852 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 Npc131852?

Npc131852 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc131852?

Post a free request on CompoundList and suppliers of Npc131852 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc131852?

Suppliers quote Npc131852 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 Npc131852

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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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