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Aromatic building blocks

Phenyl cyclohexanecarboxylate

Also known as cyclohexanecarboxylic acid phenyl ester, Cyclohexancarbonsaurephenylester, Phenyl cyclohexanecarboxylate #

CAS 3954-12-9Formula C13H16O2Molar mass 204.27 g/mol
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Phenyl cyclohexanecarboxylate chemical structure, C13H16O2, CAS 3954-12-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3954-12-9
Formula
C13H16O2
Molar mass
204.27 g/mol
HS code
291620
Category
Aromatic building blocks

What is Phenyl cyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Phenyl cyclohexanecarboxylate is a chemical substance with the molecular formula C13H16O2 and a molar mass of 204.27 g/mol. Its CAS registry number is 3954-12-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
phenyl cyclohexanecarboxylate
CAS number
3954-12-9 CAS number cross-checked
Molecular formula
C13H16O2
InChIKey
OPYYWWIJPHKUDZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
SMILES (canonical and isomeric)
C1CCC(CC1)C(=O)OC2=CC=CC=C2

Synonyms

  • cyclohexanecarboxylic acid phenyl ester
  • Cyclohexancarbonsaurephenylester
  • Phenyl cyclohexanecarboxylate #
  • Cyclohexanecarboxylic acid, phenyl ester

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
204.27 g/molcalc.
Exact mass
204.115 Dacalc.
LogP (octanol/water)
3.17calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, O=C(Oc1ccccc1)C1CCCCC1

O=C(Oc1ccccc1)C1CCCCC1

2 rings, 15 atoms. This chemical is the scaffold itself.

138 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.

Phenyl cyclohexanecarboxylate suppliers

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

Frequently asked questions

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

What is Phenyl cyclohexanecarboxylate?

Phenyl cyclohexanecarboxylate is a chemical substance with the molecular formula C13H16O2 and a molar mass of 204.27 g/mol. Its CAS registry number is 3954-12-9.

What is the CAS number of Phenyl cyclohexanecarboxylate?

The CAS registry number of Phenyl cyclohexanecarboxylate is 3954-12-9.

What is the molecular formula and weight of Phenyl cyclohexanecarboxylate?

The molecular formula of Phenyl cyclohexanecarboxylate is C13H16O2 and its molar mass is 204.27 g/mol.

What is Phenyl cyclohexanecarboxylate used for?

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

Is Phenyl cyclohexanecarboxylate hazardous?

No GHS hazard classification for Phenyl 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 Phenyl cyclohexanecarboxylate?

Phenyl 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 Phenyl cyclohexanecarboxylate?

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

What is the price of Phenyl cyclohexanecarboxylate?

Suppliers quote Phenyl 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 Phenyl 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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