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Synthetic aroma chemicals

Anisole

Also known as Methoxybenzene, Methyl phenyl ether, Benzene, methoxy-

CAS 100-66-3Formula C7H8OMolar mass 108.14 g/molEC 202-876-1
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant 92 suppliers listed
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Anisole chemical structure, C7H8O, CAS 100-66-3
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Mobile liquid, clear straw color
Melting point
-37.3 °C
Boiling point
155.5 °C
Density
Relative density (water = 1): 0.99
Flash point
52 °C
HS code
290930
Category
Synthetic aroma chemicals
UN number
UN 2222
Illustrative photo, clear liquid in a volumetric flask on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Anisole?

Plain description, key identifiers and synonyms

Anisole is a monomethoxybenzene that is benzene substituted by a methoxy group. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
anisole
CAS number
100-66-3 CAS number cross-checked
EC number
202-876-1
Molecular formula
C7H8O
UNII
B3W693GAZH
MDL number
MFCD00008354
INCI name
ANISOLE
InChIKey
RDOXTESZEPMUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
SMILES (canonical and isomeric)
COC1=CC=CC=C1

Synonyms

  • Methoxybenzene
  • Methyl phenyl ether
  • Benzene, methoxy-
  • Phenoxymethane
  • Anisol
  • Phenyl methyl ether
  • Anizol
  • Phenol methyl ether
  • Ether, methyl phenyl
  • Benzene, methoxy
  • 4-methoxybenzene
  • Methoxy-Benzene
  • methylphenyl ether
  • Ether, methyl phenyl-
  • Methoxybenzine
  • anisole-
  • 4-methoxy benzene
  • Methyl phenyl-Ether
  • Anisole, 8CI
  • Methoxy-Benzeneanisole
  • Indometacin Impurity 45
  • Methoxy-benzene (anisol)
  • Anisole, analytical standard
  • Anisole, anhydrous, 99.7%
  • Anisole, ReagentPlus(R), 99%
Show all 31 synonyms
  • Anisole, >=99%, FCC, FG
  • UN 2222
  • Anisole [UN2222] [Flammable liquid]
  • Methoxybenzene Solution in Methanol, 1000ug/mL
  • Anisole, United States Pharmacopeia (USP) Reference Standard
  • Anisole, Pharmaceutical Secondary Standard, Certified Reference Material

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

Appearance
Mobile liquid, clear straw colorexp.
Odour
SWEET ANISE-LIKE ODORexp.
Taste
SWEETexp.
Melting point
-37.3 °Cexp.
Boiling point
155.5 °Cexp.
Density
Relative density (water = 1): 0.99exp.
Flash point
52 °Cexp.
Autoignition temperature
475 °Cexp.
Solubility
1520 mg/Lexp.
Vapour pressure
0.472 kPa (3.54 mm Hg) @ 25 °Cexp.

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
108.14 g/molcalc.
Exact mass
108.0575 Dacalc.
LogP (octanol/water)
1.7calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.14calc.
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
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
210NFPA 704 rating

Hazard statements

  • H226Flammable liquid and vapour.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H336May cause drowsiness or dizziness.
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.
UN number
UN 2222
Transport hazard class
3
Packing group
III

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

Anisole suppliers

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All 92 suppliers
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Where suppliers are based

92 suppliers in 16 countries

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Anisole 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

In perfumery, in organic syntheses.

Vermicide, flavoring.

Important intermediate in the manufacture of organic compounds, for example fragrances and pharmaceuticals. It is also used as a solvent and heat transfer medium.

Industrial uses: Solvent.

Cosmetic ingredient, INCI name ANISOLE(perfuming)

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Reaction of phenol and methyl chloride in the presence of sodium hydroxide

From bromobenzene, by passing methyl chloride into suspension of sodium phenolate in liq ammonia. ...

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

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 Anisole is traded under.

HS 2909.30Indicative HS code

Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives

World exports in 2024
$470M
−2.2% vs 2023, imports $432M
2019 to 2024
Top exporters
  1. China45.7%
  2. Germany15.7%
  3. India * partner reported9.9%
Top importers
  1. United States14.3%
  2. China11.8%
  3. India * partner reported8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Anisole?

Anisole is a monomethoxybenzene that is benzene substituted by a methoxy group. It has a role as a plant metabolite.

What is the CAS number of Anisole?

The CAS registry number of Anisole is 100-66-3.

What is the molecular formula and weight of Anisole?

The molecular formula of Anisole is C7H8O and its molar mass is 108.14 g/mol.

What is Anisole used for?

In perfumery, in organic syntheses. Vermicide, flavoring. Important intermediate in the manufacture of organic compounds, for example fragrances and pharmaceuticals. It is also used as a solvent and heat transfer medium. Industrial uses: Solvent.

Is Anisole hazardous?

Anisole carries the GHS signal word "Warning". Main hazards: 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 Anisole?

Anisole is usually classified under HS code 290930 (Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anisole?

CompoundList lists 92 suppliers of Anisole in China, India, United States, Germany and 12 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Anisole in India?

19 suppliers in India list Anisole on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Anisole?

Suppliers quote Anisole 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 Anisole

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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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