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Esters and lactones

Methyl 3-methylcyclohexanecarboxylate

Also known as 3-Methyl-cyclohexanecarboxylic acid methyl ester, Methyl 3-methylcyclohexane-1-carboxylate

CAS 72903-23-2Formula C9H16O2Molar mass 156.23 g/molEC 700-420-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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Methyl 3-methylcyclohexanecarboxylate chemical structure, C9H16O2, CAS 72903-23-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72903-23-2
Formula
C9H16O2
Molar mass
156.23 g/mol
EC number
700-420-0
HS code
291620
Category
Esters and lactones

What is Methyl 3-methylcyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Methyl 3-methylcyclohexanecarboxylate is a chemical substance with the molecular formula C9H16O2 and a molar mass of 156.23 g/mol. Its CAS registry number is 72903-23-2. The IUPAC name is methyl 3-methylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-methylcyclohexane-1-carboxylate
CAS number
72903-23-2Other or deprecated CAS: 7605-52-9
EC number
700-420-0
Molecular formula
C9H16O2
MDL number
MFCD30176241
InChIKey
AWZWUAFNPBYDLB-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-7-4-3-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3
SMILES (canonical and isomeric)
CC1CCCC(C1)C(=O)OC

Synonyms

  • 3-Methyl-cyclohexanecarboxylic acid methyl ester
  • Methyl 3-methylcyclohexane-1-carboxylate

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
156.23 g/molcalc.
Exact mass
156.115 Dacalc.
LogP (octanol/water)
1.99calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
2calc.
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
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
Precautionary statements (10)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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 3-methylcyclohexanecarboxylate suppliers

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Methyl 3-methylcyclohexanecarboxylate price

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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 Methyl 3-methylcyclohexanecarboxylate 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 3-methylcyclohexanecarboxylate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl 3-methylcyclohexanecarboxylate, based on the data on this page

What is Methyl 3-methylcyclohexanecarboxylate?

Methyl 3-methylcyclohexanecarboxylate is a chemical substance with the molecular formula C9H16O2 and a molar mass of 156.23 g/mol. Its CAS registry number is 72903-23-2. The IUPAC name is methyl 3-methylcyclohexane-1-carboxylate.

What is the CAS number of Methyl 3-methylcyclohexanecarboxylate?

The CAS registry number of Methyl 3-methylcyclohexanecarboxylate is 72903-23-2. Other or deprecated CAS numbers: 7605-52-9.

What is the molecular formula and weight of Methyl 3-methylcyclohexanecarboxylate?

The molecular formula of Methyl 3-methylcyclohexanecarboxylate is C9H16O2 and its molar mass is 156.23 g/mol.

What is Methyl 3-methylcyclohexanecarboxylate used for?

Known uses and roles of Methyl 3-methylcyclohexanecarboxylate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl 3-methylcyclohexanecarboxylate hazardous?

Methyl 3-methylcyclohexanecarboxylate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methyl 3-methylcyclohexanecarboxylate?

Methyl 3-methylcyclohexanecarboxylate 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 3-methylcyclohexanecarboxylate?

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What is the price of Methyl 3-methylcyclohexanecarboxylate?

Suppliers quote Methyl 3-methylcyclohexanecarboxylate 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

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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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