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Ketone and ester solvents

3,3,5-Trimethylcyclohexanone

Also known as 3,3,5-Trimethylcyclohexan-1-one, Dihydroisophorone, Cyclohexanone, 3,3,5-trimethyl-

CAS 873-94-9Formula C9H16OMolar mass 140.23 g/molEC 212-855-9
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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3,3,5-Trimethylcyclohexanone chemical structure, C9H16O, CAS 873-94-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
873-94-9
Formula
C9H16O
Molar mass
140.23 g/mol
Physical form
Liquid
HS code
291429
Category
Ketone and ester solvents
Illustrative photo, a closed 1000 litre IBC tote in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 3,3,5-Trimethylcyclohexanone?

Plain description, key identifiers and synonyms

3,3,5-Trimethylcyclohexanone is a chemical substance with the molecular formula C9H16O and a molar mass of 140.23 g/mol. Its CAS registry number is 873-94-9. The IUPAC name is 3,3,5-trimethylcyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,3,5-trimethylcyclohexan-1-one
CAS number
873-94-9 CAS number cross-checked
EC number
212-855-9
Molecular formula
C9H16O
UNII
QXG9U7N202
MDL number
MFCD00019466
InChIKey
POSWICCRDBKBMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
SMILES (canonical and isomeric)
CC1CC(=O)CC(C1)(C)C

Synonyms

  • 3,3,5-Trimethylcyclohexan-1-one
  • Dihydroisophorone
  • Cyclohexanone, 3,3,5-trimethyl-
  • Trimethylcyclohexanone
  • Dihydro-isophorone
  • 3,5,5-Trimethylcyclohexanone
  • 3,5,5-trimethyl cyclohexanone
  • 3,3,5-Trimethyl cyclohexanone
  • (+/-)-Dihydroisophorone, 3,3,5-Trimethyl-1-cyclohexanone, Dihydroisophorone
  • 3,3,5-Trimethyl-1-cyclohexanone
  • 335-Trimethylcyclohexanone
  • 3.3.5-Trimethyl cyclohexanone
  • cyclohexanone, 3,3,5-trimethyl
  • (+/-)-Dihydroisophorone
  • 3,3,5-trimethyl-cyclohexan-1-one
  • 3,3,5-Trimethylcyclohexanone, 98%
  • (+/-)-3,3,5-Trimethylcyclohexanone

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
140.23 g/molcalc.
Exact mass
140.1201 Dacalc.
LogP (octanol/water)
2.4calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
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, O=C1CCCCC1

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 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

  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (12)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • 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.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P337 + P317If eye irritation persists: Get medical help.
  • 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

3,3,5-Trimethylcyclohexanone 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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3,3,5-Trimethylcyclohexanone price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Industrial uses: Intermediate, Solvent.

Functional uses

  • Corrosion inhibitor
  • Flavouring and nutrient
  • Flow promoter
  • Plasticizer
  • Solvent

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 3,3,5-Trimethylcyclohexanone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 3,3,5-Trimethylcyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3,3,5-Trimethylcyclohexanone, based on the data on this page

What is 3,3,5-Trimethylcyclohexanone?

3,3,5-Trimethylcyclohexanone is a chemical substance with the molecular formula C9H16O and a molar mass of 140.23 g/mol. Its CAS registry number is 873-94-9. The IUPAC name is 3,3,5-trimethylcyclohexan-1-one.

What is the CAS number of 3,3,5-Trimethylcyclohexanone?

The CAS registry number of 3,3,5-Trimethylcyclohexanone is 873-94-9.

What is the molecular formula and weight of 3,3,5-Trimethylcyclohexanone?

The molecular formula of 3,3,5-Trimethylcyclohexanone is C9H16O and its molar mass is 140.23 g/mol.

What is 3,3,5-Trimethylcyclohexanone used for?

Industrial uses: Intermediate, Solvent.

Is 3,3,5-Trimethylcyclohexanone hazardous?

3,3,5-Trimethylcyclohexanone carries the GHS signal word "Warning". Main hazards: causes serious eye irritation, harmful if inhaled, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3,3,5-Trimethylcyclohexanone?

3,3,5-Trimethylcyclohexanone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3,3,5-Trimethylcyclohexanone?

CompoundList lists 2 suppliers of 3,3,5-Trimethylcyclohexanone 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 3,3,5-Trimethylcyclohexanone?

Suppliers quote 3,3,5-Trimethylcyclohexanone 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 3,3,5-Trimethylcyclohexanone

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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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