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Phenols

Pentamethylphenol

Also known as Phenol, pentamethyl-, 2,3,4,5,6-pentamethylphenol, Phenol, 2,3,4,5,6-pentamethyl-

CAS 2819-86-5Formula C11H16OMolar mass 164.25 g/molEC 220-580-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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Pentamethylphenol chemical structure, C11H16O, CAS 2819-86-5
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Solid
Melting point
128 °C
Boiling point
267 °C
Solubility
Insoluble in water, soluble in ethanol
HS code
290719
Category
Phenols
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Pentamethylphenol?

Plain description, key identifiers and synonyms

Pentamethylphenol is a chemical substance with the molecular formula C11H16O and a molar mass of 164.25 g/mol. Its CAS registry number is 2819-86-5. The IUPAC name is 2,3,4,5,6-pentamethylphenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,4,5,6-pentamethylphenol
CAS number
2819-86-5 CAS number cross-checked
EC number
220-580-0
Molecular formula
C11H16O
UNII
TP4085FL43
MDL number
MFCD00075009
InChIKey
WALBTDFSFTVXII-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3
SMILES (canonical and isomeric)
CC1=C(C(=C(C(=C1C)C)O)C)C

Synonyms

  • Phenol, pentamethyl-
  • 2,3,4,5,6-pentamethylphenol
  • Phenol, 2,3,4,5,6-pentamethyl-
  • Phenol, pentamethyl
  • 2,3,4,5,6Pentamethylphenol
  • Phenol, 2,3,4,5,6pentamethyl
  • 2,3,4,5,6-pentamethyl-phenol

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
Solidexp.
Melting point
128 °Cexp.
Boiling point
267 °Cexp.
Solubility
Insoluble in water, soluble in ethanolexp.

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
164.25 g/molcalc.
Exact mass
164.1201 Dacalc.
LogP (octanol/water)
2.93calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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
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

Pentamethylphenol suppliers

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Pentamethylphenol 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

How it is made

Probably by reaction of 2,6-dimethylphenol with a methyl halide in the presence of a catalyst followed by sepn of isomers

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

Frequently asked questions

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

What is Pentamethylphenol?

Pentamethylphenol is a chemical substance with the molecular formula C11H16O and a molar mass of 164.25 g/mol. Its CAS registry number is 2819-86-5. The IUPAC name is 2,3,4,5,6-pentamethylphenol.

What is the CAS number of Pentamethylphenol?

The CAS registry number of Pentamethylphenol is 2819-86-5.

What is the molecular formula and weight of Pentamethylphenol?

The molecular formula of Pentamethylphenol is C11H16O and its molar mass is 164.25 g/mol.

What is Pentamethylphenol used for?

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

Is Pentamethylphenol hazardous?

Pentamethylphenol 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 Pentamethylphenol?

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

Where can I buy Pentamethylphenol?

Post a free request on CompoundList and suppliers of Pentamethylphenol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pentamethylphenol?

Suppliers quote Pentamethylphenol 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 Pentamethylphenol

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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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