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Phenols

Pseudocumenol

Also known as 2,4,5-Trimethylphenol, Phenol, 2,4,5-trimethyl-, 5-Hydroxypseudocumene

CAS 496-78-6Formula C9H12OMolar mass 136.19 g/molEC 207-832-5
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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Pseudocumenol chemical structure, C9H12O, CAS 496-78-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
496-78-6
Formula
C9H12O
Molar mass
136.19 g/mol
EC number
207-832-5
HS code
290719
Category
Phenols

What is Pseudocumenol?

Plain description, key identifiers and synonyms

Pseudocumenol is a chemical substance with the molecular formula C9H12O and a molar mass of 136.19 g/mol. Its CAS registry number is 496-78-6. The IUPAC name is 2,4,5-trimethylphenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,4,5-trimethylphenol
CAS number
496-78-6 CAS number cross-checked
EC number
207-832-5
Molecular formula
C9H12O
UNII
3PCA9E425C
MDL number
MFCD00020050
InChIKey
VXSCPERJHPWROZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1C)O)C

Synonyms

  • 2,4,5-Trimethylphenol
  • Phenol, 2,4,5-trimethyl-
  • 5-Hydroxypseudocumene
  • 1-Hydroxy-2,4,5-trimethylbenzene
  • 4-06-00-03247 (Beilstein Handbook Reference)
  • 2,4,5-Trimethylphenol 100 microg/mL in Acetonitrile

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
136.19 g/molcalc.
Exact mass
136.0888 Dacalc.
LogP (octanol/water)
2.32calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
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 Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H314Causes severe skin burns and eye damage.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
Precautionary statements (24)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • 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.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P363Wash contaminated clothing before reuse.
  • 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

Pseudocumenol suppliers

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Pseudocumenol 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: Inactive 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 Pseudocumenol is traded under.

HS 2907.19Indicative HS code

Monophenols, other

World exports in 2024
$671M
+2.2% vs 2023, imports $781M
2019 to 2024
Top exporters
  1. China20.1%
  2. Germany14.4%
  3. Switzerland * partner reported11.1%
Top importers
  1. China16.3%
  2. Germany10.1%
  3. South Korea8.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pseudocumenol, based on the data on this page

What is Pseudocumenol?

Pseudocumenol is a chemical substance with the molecular formula C9H12O and a molar mass of 136.19 g/mol. Its CAS registry number is 496-78-6. The IUPAC name is 2,4,5-trimethylphenol.

What is the CAS number of Pseudocumenol?

The CAS registry number of Pseudocumenol is 496-78-6.

What is the molecular formula and weight of Pseudocumenol?

The molecular formula of Pseudocumenol is C9H12O and its molar mass is 136.19 g/mol.

What is Pseudocumenol used for?

Known uses and roles of Pseudocumenol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pseudocumenol hazardous?

Pseudocumenol carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes severe skin burns and eye damage, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pseudocumenol?

Pseudocumenol is usually classified under HS code 290719 (Monophenols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pseudocumenol?

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What is the price of Pseudocumenol?

Suppliers quote Pseudocumenol 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 Pseudocumenol

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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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