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Methyl cyclohexanecarboxylate

Also known as Methyl cyclohexanoate, Hexahydrobenzoic acid methyl ester, Cyclohexanecarboxylic acid, methyl ester

CAS 4630-82-4Formula C8H14O2Molar mass 142.20 g/molEC 225-050-2
GHS signal word: Warning. Pictograms: Flammable 3 suppliers listed
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Methyl cyclohexanecarboxylate chemical structure, C8H14O2, CAS 4630-82-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4630-82-4
Formula
C8H14O2
Molar mass
142.20 g/mol
Physical form
Liquid
HS code
291620
Category
Flavor ingredients
Illustrative photo, a closed 1000 litre IBC tote in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Methyl cyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a flavouring agent and a human metabolite. It is a volatile organic compound and a methyl ester. It is functionally related to a cyclohexanecarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl cyclohexanecarboxylate
CAS number
4630-82-4 CAS number cross-checked
EC number
225-050-2
Molecular formula
C8H14O2
UNII
96144H696Q
MDL number
MFCD00001458
InChIKey
ZQWPRMPSCMSAJU-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
SMILES (canonical and isomeric)
COC(=O)C1CCCCC1

Synonyms

  • Methyl cyclohexanoate
  • Hexahydrobenzoic acid methyl ester
  • Cyclohexanecarboxylic acid, methyl ester
  • Methyl cyclohexylcarboxylate
  • Methyl cyclohexylformate
  • Methyl hexahydrobenzoate
  • vanilla carboxylate
  • Methyl ester of cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic Acid Methyl Ester
  • 4-09-00-00017 (Beilstein Handbook Reference)
  • CyclohexanecarboxylicAcidMethylEster-d11
  • methylcyclohexanecarboxylate
  • methyl cyclohexane carboxylate
  • methyl cyclohexancarboxylate
  • c-C6H11COOCH3
  • methylcyclohexane carboxylate
  • methyl cyclohexane-carboxylate
  • methyl-cyclohexane carboxylate
  • Methyl cyclohexanecarboxylate, 98%
  • Methyl cyclohexanecarboxylate, >=98%
  • Cyclohexane carboxylic acid methyl ester
  • cyclohexane-carboxylic acid methyl ester
  • cyclohexane carboxylic acid, methyl 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

Physical form
Liquidexp.

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
142.20 g/molcalc.
Exact mass
142.0994 Dacalc.
LogP (octanol/water)
1.74calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
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

GHS signal word
Warning
GHS02: Flammable
Flammable

Hazard statements

  • H226Flammable liquid and vapour.
Precautionary statements (11)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Methyl cyclohexanecarboxylate suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Methyl 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

Roles

  • additive
  • animal metabolite
  • eukaryotic metabolite
  • flavouring agent
  • food additive
  • food component
  • human metabolite
  • mammalian metabolite
  • metabolite
  • physiological role

Functional uses

  • Flavouring and nutrient

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

Frequently asked questions

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

What is Methyl cyclohexanecarboxylate?

Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a flavouring agent and a human metabolite. It is a volatile organic compound and a methyl ester.

What is the CAS number of Methyl cyclohexanecarboxylate?

The CAS registry number of Methyl cyclohexanecarboxylate is 4630-82-4.

What is the molecular formula and weight of Methyl cyclohexanecarboxylate?

The molecular formula of Methyl cyclohexanecarboxylate is C8H14O2 and its molar mass is 142.20 g/mol.

What is Methyl cyclohexanecarboxylate used for?

Known uses and roles of Methyl cyclohexanecarboxylate include flavors in food and beverage, flavoring agents in flavors and fragrances, esters and lactones in flavors and fragrances, additive, animal metabolite and 9 more.

Is Methyl cyclohexanecarboxylate hazardous?

Methyl cyclohexanecarboxylate carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methyl cyclohexanecarboxylate?

Methyl 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 Methyl cyclohexanecarboxylate?

CompoundList lists 3 suppliers of Methyl cyclohexanecarboxylate in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Methyl cyclohexanecarboxylate?

Suppliers quote Methyl 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 Methyl 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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