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CAS 100-66-3

CAS 100-66-3 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 100-66-3
CAS 100-66-3PubChem CID 7519

Anisole

Anisole appears as a clear straw-colored liquid with an aromatic odor. Insoluble in water and the same density as water. Vapors heavier than air. Moderately toxic by ingestion. A skin irritant. Used to make perfumes, flavorings and as a solvent. — CAMEO Chemicals

IUPAC name
anisole
Molecular formula
C7H8O
Molecular weight
108.14 g/mol
Exact mass
108.057514874 Da
XLogP3
2.1
Topological polar surface area
9.2 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
1
Covalent units
1
Defined stereocentres
0

Also known as

MethoxybenzeneMethyl phenyl etherBenzene, methoxy-PhenoxymethaneAnisolPhenyl methyl etherAnizolPhenol methyl ether
16 more reported names
Ether, methyl phenylBenzene, methoxyFEMA No. 2097B3W693GAZHNSC-7920CHEBI:16579RefChem:5555202-876-14-methoxybenzeneHSDB 44Methoxy-Benzenemethylphenyl etherNSC 7920Ether, methyl phenyl-FEMA Number 2097EINECS 202-876-1
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:16579

anisole

A monomethoxybenzene that is benzene substituted by a methoxy group.

Formula
C7H8O
Average mass
108.140 g/mol
Monoisotopic mass
108.05751 Da
Formal charge
0
  • monomethoxybenzene — is a (CHEBI:25235)
  • plant metabolite — has role (CHEBI:76924)
  • plant metabolite — has role (CHEBI:76924)
  • monomethoxybenzene — is a (CHEBI:25235)
Additional curated names
anisoleAnisolAnisoleMethoxybenzeneMethyl phenyl etherPhenol methyl ether
Cross-references from this source
  • CAS: 100-66-3 — KEGG COMPOUND
  • CAS: 100-66-3 — NIST Chemistry WebBook
  • CAS: 100-66-3 — ChemIDplus
  • REGISTRY_NUMBER: 2964 — Gmelin
  • REGISTRY_NUMBER: 506892 — Reaxys
  • MANUAL_X_REF: Anisole — Wikipedia
  • MANUAL_X_REF: C01403 — KEGG COMPOUND
  • MANUAL_X_REF: CPD-395 — MetaCyc
  • MANUAL_X_REF: HMDB0033895 — HMDB

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match7519

Attributed physical-property, hazard, environmental and use annotations.

  • First Aid: Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:; Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024) Source: CAMEO Chemicals
  • ERG2024, Guide 128 (Anisole): General First Aid:; · Call 911 or emergency medical service.; · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.; · Move victim to fresh air if it can be done safely.; · Administer oxygen if breathing is difficult.; · If victim is not breathing:; -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.; -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).; -- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.; · Remove and isolate contaminated clothing and shoes.; · For minor skin contact, avoid spreading material on unaffected skin.; · In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.; · For severe burns, immediate medical attention is required.; · Effects of exposure (inhalation, ingestion, Source: Emergency Response Guidebook (ERG)
  • Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2013) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (76.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (78.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H336 (13.1%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: Aggregated GHS information provided per 2013 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 2013 reports by companies.; There are 28 notifications provided by 2012 of 2013 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: NITE-CMC
  • GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids] Source: NITE-CMC
  • Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • NFPA Health Rating: 1 - Materials that, under emergency conditions, can cause significant irritation. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Fire Rating: 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Bioconcentration: Using its log Kow, 2.11(2), one estimates a BCF of 24 for anisole using a recommended regression equation(3). The bioconcentration of anisole in aquatic organisms was determined in a model aquatic ecosystem maintained at 26.7 °C with 12 hr of simulated daylight exposure(1). After 24 hr exposure, the ecological magnification for anisole was (organism, bioaccumulation factor): fish, 22; mosquito larva, 27; algae, 563; daphnia, 771; snails, 899(1). There were signs of considerable metabolism in all species. O-dealkylate occurred in fish and snail, hydroxylation to o- and p-methoxyphenols occurred in all species except daphnia, and conjugation occurred in alga and snails(1). According to a recommended classification scheme(4), this BCF value and its metabolism in aquatic organisms would indicate that anisole has a low potential for bioconcentration in fish and aquatic organisms(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: TERRESTRIAL FATE: Based on a recommended classification scheme(2), the experimentally-determined Koc value for anisole of 35(1) suggests that it will be highly mobile in soil and may leach(SRC). Its estimated Henry's Law constant(3), 4.35X10-3 atm-cu m/mole(SRC), vapor pressure, 3.4 mm Hg at 25 °C(5), and low adsorptivity to soil indicate that volatilization may be an important fate process from both moist and dry soil surfaces(4,SRC). Anisole has been demonstrated to be readily biodegradable in screening tests(6-8) and therefore may readily biodegrade in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Anisole should volatilize from water based on its estimated Henry's Law constant of 4.4X10-3 atm-cu m/mole(SRC), derived from a fragment constant estimation method(3). Estimated half-lives for a model river and model lake are 3.2 hr and 4.2 days, respectively(4,SRC). Anisole has been demonstrated to be readily biodegradable in screening tests(5,6) and therefore may biodegrade in natural water(SRC). When anisole was added to a model aquatic ecosystem with fish, mosquito larva, alga, daphnia, and snails and incubated for 24 hr, the concentration of anisole was considerably reduced (by approximately 93%) and degradation products were found in the water(1). A Russian study reported that anisole was stable in water for 4 days(2). The details of the study were not available. According to a recommended classification scheme(8), experimental bioaccumulation factors obtained from a model aquatic ecosystem along with evidence of metabolism in aquatic organisms(1) suggests that bioaccumulation of anisole should not be a concern(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: ATMOSPHERIC FATE: According to a theory of gas/particle partitioning of semivolatile organic compounds in the atmosphere(2), anisole, which has a vapor pressure of 3.5 mm Hg at 25 °C(3) will exist in the ambient atmosphere as a vapor(SRC). Vapor-phase anisole is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 22 hr(1,SRC). Anisole's water solubility in water is 1520 mg/L(4), and therefore it may be washed out of the atmosphere by rain(SRC). Source: Hazardous Substances Data Bank (HSDB)

Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record

Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.

Additional source coverage and match status
SourceResultChecked
EMBL-EBI ChEBIExact match2026-08-31
NIH PubChem PUG-ViewExact match2026-08-31

A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

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