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Aliphatic and alicyclic building blocks

Methyl 4-acetylcyclohexanecarboxylate

Also known as trans-methyl 4-acetylcyclohexanecarboxylate, methyl trans-4-acetylcyclohexanecarboxylate, Methyl 4-acetylcyclohexane-1-carboxylate

CAS 120077-76-1Formula C10H16O3Molar mass 184.24 g/molEC 185-519-1
GHS signal word: Warning. Pictograms: Harmful or irritant
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Methyl 4-acetylcyclohexanecarboxylate chemical structure, C10H16O3, CAS 120077-76-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
120077-76-1
Formula
C10H16O3
Molar mass
184.24 g/mol
EC number
185-519-1
HS code
291830
Category
Aliphatic and alicyclic building blocks

What is Methyl 4-acetylcyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Methyl 4-acetylcyclohexanecarboxylate is a chemical substance with the molecular formula C10H16O3 and a molar mass of 184.24 g/mol. Its CAS registry number is 120077-76-1. The IUPAC name is methyl 4-acetylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-acetylcyclohexane-1-carboxylate
CAS number
120077-76-1Other or deprecated CAS: 131246-81-6, 183996-94-3
EC number
185-519-1
Molecular formula
C10H16O3
MDL number
MFCD00026228, MFCD27946494
InChIKey
FVKWOWXKTBIIJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h8-9H,3-6H2,1-2H3
SMILES (canonical and isomeric)
CC(=O)C1CCC(CC1)C(=O)OC

Synonyms

  • trans-methyl 4-acetylcyclohexanecarboxylate
  • methyl trans-4-acetylcyclohexanecarboxylate
  • Methyl 4-acetylcyclohexane-1-carboxylate
  • methyl (1r,4r)-4-acetylcyclohexane-1-carboxylate
  • Cyclohexanecarboxylic acid, 4-acetyl-, methyl ester, trans-
  • methyl4-acetylcyclohexane-1-carboxylate
  • methyl cis-4-acetylcyclohexanecarboxylate
  • trans-methyl4-acetylcyclohexanecarboxylate
  • Trans methyl 4-acetylcyclohexanecarboxylate
  • methyl trans-4-acetylcyclohexanecarboxylate -

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
184.24 g/molcalc.
Exact mass
184.1099 Dacalc.
LogP (octanol/water)
1.55calc.
Topological polar surface area
43.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
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
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

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Methyl 4-acetylcyclohexanecarboxylate 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 Methyl 4-acetylcyclohexanecarboxylate is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Methyl 4-acetylcyclohexanecarboxylate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl 4-acetylcyclohexanecarboxylate, based on the data on this page

What is Methyl 4-acetylcyclohexanecarboxylate?

Methyl 4-acetylcyclohexanecarboxylate is a chemical substance with the molecular formula C10H16O3 and a molar mass of 184.24 g/mol. Its CAS registry number is 120077-76-1. The IUPAC name is methyl 4-acetylcyclohexane-1-carboxylate.

What is the CAS number of Methyl 4-acetylcyclohexanecarboxylate?

The CAS registry number of Methyl 4-acetylcyclohexanecarboxylate is 120077-76-1. Other or deprecated CAS numbers: 131246-81-6, 183996-94-3.

What is the molecular formula and weight of Methyl 4-acetylcyclohexanecarboxylate?

The molecular formula of Methyl 4-acetylcyclohexanecarboxylate is C10H16O3 and its molar mass is 184.24 g/mol.

What is Methyl 4-acetylcyclohexanecarboxylate used for?

Known uses and roles of Methyl 4-acetylcyclohexanecarboxylate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl 4-acetylcyclohexanecarboxylate hazardous?

Methyl 4-acetylcyclohexanecarboxylate carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methyl 4-acetylcyclohexanecarboxylate?

Methyl 4-acetylcyclohexanecarboxylate is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methyl 4-acetylcyclohexanecarboxylate?

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What is the price of Methyl 4-acetylcyclohexanecarboxylate?

Suppliers quote Methyl 4-acetylcyclohexanecarboxylate 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 4-acetylcyclohexanecarboxylate

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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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