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Aliphatic and alicyclic building blocks

Pentyl cyclohexanecarboxylate

Also known as Cyclohexanecarboxylic acid, pentyl ester, Cyclohexanecarboxylic acid pentyl ester, Pentyl cyclohexanecarboxylate #

CAS 6553-83-9Formula C12H22O2Molar mass 198.31 g/molEC 229-478-0
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Pentyl cyclohexanecarboxylate chemical structure, C12H22O2, CAS 6553-83-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6553-83-9
Formula
C12H22O2
Molar mass
198.31 g/mol
EC number
229-478-0
HS code
291620
Category
Aliphatic and alicyclic building blocks

What is Pentyl cyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Pentyl cyclohexanecarboxylate is a chemical substance with the molecular formula C12H22O2 and a molar mass of 198.31 g/mol. Its CAS registry number is 6553-83-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentyl cyclohexanecarboxylate
CAS number
6553-83-9 CAS number cross-checked
EC number
229-478-0
Molecular formula
C12H22O2
InChIKey
QLFARUWYJWNPLX-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h11H,2-10H2,1H3
SMILES (canonical and isomeric)
CCCCCOC(=O)C1CCCCC1

Synonyms

  • Cyclohexanecarboxylic acid, pentyl ester
  • Cyclohexanecarboxylic acid pentyl ester
  • Pentyl cyclohexanecarboxylate #

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
198.31 g/molcalc.
Exact mass
198.162 Dacalc.
LogP (octanol/water)
3.3calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 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.

Pentyl cyclohexanecarboxylate suppliers

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

Frequently asked questions

Quick answers about Pentyl cyclohexanecarboxylate, based on the data on this page

What is Pentyl cyclohexanecarboxylate?

Pentyl cyclohexanecarboxylate is a chemical substance with the molecular formula C12H22O2 and a molar mass of 198.31 g/mol. Its CAS registry number is 6553-83-9.

What is the CAS number of Pentyl cyclohexanecarboxylate?

The CAS registry number of Pentyl cyclohexanecarboxylate is 6553-83-9.

What is the molecular formula and weight of Pentyl cyclohexanecarboxylate?

The molecular formula of Pentyl cyclohexanecarboxylate is C12H22O2 and its molar mass is 198.31 g/mol.

What is Pentyl cyclohexanecarboxylate used for?

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

Is Pentyl cyclohexanecarboxylate hazardous?

No GHS hazard classification for Pentyl cyclohexanecarboxylate 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 Pentyl cyclohexanecarboxylate?

Pentyl cyclohexanecarboxylate 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 Pentyl cyclohexanecarboxylate?

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

What is the price of Pentyl cyclohexanecarboxylate?

Suppliers quote Pentyl cyclohexanecarboxylate 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 Pentyl cyclohexanecarboxylate

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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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