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Aliphatic and alicyclic building blocks

Siglure

Also known as 6-Methyl-3-cyclohexene-1-carboxylic acid 1-methylpropyl ester, butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 6-methyl-, 1-methylpropyl ester

CAS 2425-20-9Formula C12H20O2Molar mass 196.29 g/mol
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Siglure chemical structure, C12H20O2, CAS 2425-20-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2425-20-9
Formula
C12H20O2
Molar mass
196.29 g/mol
HS code
291620
Category
Aliphatic and alicyclic building blocks

What is Siglure?

Plain description, key identifiers and synonyms

Siglure is a chemical substance with the molecular formula C12H20O2 and a molar mass of 196.29 g/mol. Its CAS registry number is 2425-20-9. The IUPAC name is butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate
CAS number
2425-20-9 CAS number cross-checked
Molecular formula
C12H20O2
UNII
275E3T6N8P
InChIKey
AJKDXAOKNSFWAA-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O2/c1-4-10(3)14-12(13)11-8-6-5-7-9(11)2/h5-6,9-11H,4,7-8H2,1-3H3
SMILES (canonical and isomeric)
CCC(C)OC(=O)C1CC=CCC1C

Synonyms

  • 6-Methyl-3-cyclohexene-1-carboxylic acid 1-methylpropyl ester
  • butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate
  • 3-Cyclohexene-1-carboxylic acid, 6-methyl-, 1-methylpropyl ester
  • Sec-butyl 6-methyl-3-cyclohexene-1-carboxylate
  • Sec-butyl 6-methyl-3-cyclohexene-1-carboxylate #
  • Attractant for the Mediterranean fruit fly (Ceratitis capitata)
  • 3-Cyclohexene-1-carboxylic acid, 6-methyl-, 1-methylpropyl ester (VAN)

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
196.29 g/molcalc.
Exact mass
196.1463 Dacalc.
LogP (octanol/water)
2.93calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
3calc.
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=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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.

Siglure suppliers

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Siglure 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 Siglure is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Siglure?

Siglure is a chemical substance with the molecular formula C12H20O2 and a molar mass of 196.29 g/mol. Its CAS registry number is 2425-20-9. The IUPAC name is butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate.

What is the CAS number of Siglure?

The CAS registry number of Siglure is 2425-20-9.

What is the molecular formula and weight of Siglure?

The molecular formula of Siglure is C12H20O2 and its molar mass is 196.29 g/mol.

What is Siglure used for?

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

Is Siglure hazardous?

No GHS hazard classification for Siglure 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 Siglure?

Siglure is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Siglure?

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

What is the price of Siglure?

Suppliers quote Siglure 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 Siglure

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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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