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Aliphatic and alicyclic building blocks

6-Epi COTC

Also known as 6-epi-COTC

CAS 959150-61-9Formula C11H14O6Molar mass 242.23 g/mol
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6-Epi COTC chemical structure, C11H14O6, CAS 959150-61-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
959150-61-9
Formula
C11H14O6
Molar mass
242.23 g/mol
HS code
291619
Category
Aliphatic and alicyclic building blocks

What is 6-Epi COTC?

Plain description, key identifiers and synonyms

6-Epi COTC is a chemical substance with the molecular formula C11H14O6 and a molar mass of 242.23 g/mol. Its CAS registry number is 959150-61-9. The IUPAC name is [(3R,4R,5S)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl (E)-but-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R,4R,5S)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl (E)-but-2-enoate
CAS number
959150-61-9
Molecular formula
C11H14O6
InChIKey
PSJQCAMBOYBQEU-GHIXNCGPSA-N
InChI
InChI=1S/C11H14O6/c1-2-3-8(13)17-5-6-4-7(12)10(15)11(16)9(6)14/h2-4,7,10-12,15-16H,5H2,1H3/b3-2+/t7-,10-,11-/m1/s1
Canonical SMILES
CC=CC(=O)OCC1=CC(O)C(O)C(O)C1=O
Isomeric SMILES
C/C=C/C(=O)OCC1=C[C@H]([C@H]([C@@H](C1=O)O)O)O

Synonyms

  • 6-epi-COTC

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
242.23 g/molcalc.
Exact mass
242.079 Dacalc.
LogP (octanol/water)
-1.3calc.
Topological polar surface area
104.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.46calc.
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, O=C1C=CCCC1

O=C1C=CCCC1

1 ring, 7 atoms, the 2-Cyclohexen-1-one ring system.

1,362 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.

6-Epi COTC suppliers

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6-Epi COTC price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 6-Epi COTC is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

The HS code shown for 6-Epi COTC is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 6-Epi COTC, based on the data on this page

What is 6-Epi COTC?

6-Epi COTC is a chemical substance with the molecular formula C11H14O6 and a molar mass of 242.23 g/mol. Its CAS registry number is 959150-61-9. The IUPAC name is [(3R,4R,5S)-3,4,5-trihydroxy-6-oxocyclohexen-1-yl]methyl (E)-but-2-enoate.

What is the CAS number of 6-Epi COTC?

The CAS registry number of 6-Epi COTC is 959150-61-9.

What is the molecular formula and weight of 6-Epi COTC?

The molecular formula of 6-Epi COTC is C11H14O6 and its molar mass is 242.23 g/mol.

What is 6-Epi COTC used for?

Known uses and roles of 6-Epi COTC include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 6-Epi COTC hazardous?

No GHS hazard classification for 6-Epi COTC 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 6-Epi COTC?

6-Epi COTC is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 6-Epi COTC?

Post a free request on CompoundList and suppliers of 6-Epi COTC will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 6-Epi COTC?

Suppliers quote 6-Epi COTC 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 6-Epi COTC

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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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