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Hydrocarbons

3-Methylcyclohexene

Also known as 3-Methyl-1-cyclohexene, Cyclohexene, 3-methyl-, 3-Methylcyclohex-1-ene

CAS 591-48-0Formula C7H12Molar mass 96.17 g/molEC 209-717-5
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant 2 suppliers listed
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3-Methylcyclohexene chemical structure, C7H12, CAS 591-48-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
591-48-0
Formula
C7H12
Molar mass
96.17 g/mol
Physical form
Liquid
HS code
290219
Category
Hydrocarbons
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is 3-Methylcyclohexene?

Plain description, key identifiers and synonyms

3-Methylcyclohexene is a chemical substance with the molecular formula C7H12 and a molar mass of 96.17 g/mol. Its CAS registry number is 591-48-0.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylcyclohexene
CAS number
591-48-0 CAS number cross-checked
EC number
209-717-5
Molecular formula
C7H12
UNII
7X3KTM424G
MDL number
MFCD00001571
InChIKey
UZPWKTCMUADILM-UHFFFAOYSA-N
InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
SMILES (canonical and isomeric)
CC1CCCC=C1

Synonyms

  • 3-Methyl-1-cyclohexene
  • Cyclohexene, 3-methyl-
  • 3-Methylcyclohex-1-ene
  • 3-methylcyclohexene-1
  • 1-Methylcyclohex-2-ene
  • (+-)-3-Methylcyclohexene
  • 3-Methylcyclohexene, (+-)-
  • 3-methyl cyclohexene
  • (+/-)-3-Methylcyclohexene
  • 3-methyl-cyclohexene
  • 3-Methylcyclohexene, (+/-)-
  • 3-Methyl-1-cyclohexene Solution in Methanol, 1000ug/mL

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
96.17 g/molcalc.
Exact mass
96.0939 Dacalc.
LogP (octanol/water)
2.36calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (25)
  • 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.
  • 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.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • 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.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

3-Methylcyclohexene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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3-Methylcyclohexene 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Methylcyclohexene is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Methylcyclohexene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 3-Methylcyclohexene?

3-Methylcyclohexene is a chemical substance with the molecular formula C7H12 and a molar mass of 96.17 g/mol. Its CAS registry number is 591-48-0.

What is the CAS number of 3-Methylcyclohexene?

The CAS registry number of 3-Methylcyclohexene is 591-48-0.

What is the molecular formula and weight of 3-Methylcyclohexene?

The molecular formula of 3-Methylcyclohexene is C7H12 and its molar mass is 96.17 g/mol.

What is 3-Methylcyclohexene used for?

Known uses and roles of 3-Methylcyclohexene include building blocks in research and laboratory.

Is 3-Methylcyclohexene hazardous?

3-Methylcyclohexene carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Methylcyclohexene?

3-Methylcyclohexene is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Methylcyclohexene?

CompoundList lists 2 suppliers of 3-Methylcyclohexene in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 3-Methylcyclohexene in India?

1 supplier in India list 3-Methylcyclohexene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 3-Methylcyclohexene?

Suppliers quote 3-Methylcyclohexene 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 3-Methylcyclohexene

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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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