Anisole

METHOXYBENZENE · ANISOL · MOB · FEMA 2097 · METHYL PHENYL ETHER · Phenoxymethane · Anizol · Methoxybenzine

Identifiers & Physical Properties

CAS No.	100-66-3
Molecular formula	C7H8O
Average molar mass	108.14 g/mol
Monoisotopic mass	108.05751487 g/mol
SMILES	COc1ccccc1
InChIKey	RDOXTESZEPMUJZ-UHFFFAOYSA-N
PubChem CID	7519
ChEMBL	CHEMBL278024
ChEBI	CHEBI:16579
EC No.	202-876-1
DTXSID	DTXSID4041608

Chemical & Physical Properties

XLogP	2.1
Topological polar surface area	9.2
Hydrogen bond donors	0
Hydrogen bond acceptors	1
Rotatable bonds	1
Heavy atoms	8
Formal charge	0
Complexity	55
LogP (partition coefficient)	Log Kow = 2.11
Odor	SWEET ANISE-LIKE ODORAgreeable aromatic odorSpicy-sweetphenol, anise odor
Taste	SWEET
Density	0.9956 AT 18 °C/4 °CPER CENT IN SATURATED AIR: 0.41DENSITY OF SATURATED AIR: 1.1 (AIR= 1)Relative density (water = 1): 0.990.990-0.9931.515 @25 °C0.995 g/mL at 25 °C (lit.)
Viscosity	1.52 centipoise at 15 °C0.778 centipoise at 30 °C
Color/Form	MOBILE LIQUID, CLEAR STRAW COLORColorless liquid
Solubility	SOLUBLE IN ALCOHOL AND ETHERVERY SOLUBLE IN ACETONEWater solubility = 1520 mg/LWater solubility = 10,400 mg/LWater solubility = 143 mg/L1.04 mg/mL at 25 °C1.71g/l1.6 g/L (20 ºC)
Flash point	125 °F (NFPA, 2010)52 °C125 °F (52 °C) (OPEN CUP)52 °C o.c.
Boiling point	155.5 °C AT 760 MM HG153.00 to 155.00 °C. @ 760.00 mm Hg155 °C154 °C153.8 °C @760 [mm Hg]154 °C (lit.)
Decomposition	When heated to decomp, emits acrid fumes.
Melting point	-37.3 °C-37.5 °C-37 °C-37 °C (lit.)
Vapor density	3.72 (AIR= 1)Relative vapor density (air = 1): 3.73.7 (vs air)
Vapor pressure	10 mm Hg ( 42.2 °C)
Refractive index	n20/D 1.516(lit.)
FEMA	2097 \| ANISOLE
FLAVIS Number	04.032 \| Anisole
Storage conditions	Store below +30°C.
Physical state	Liquid
Color	Clear colorless
Relative polarity	0.198
Odor type	phenolic
Odor threshold	0.057ppm
Biological source	synthetic
Explosive limits	0.34-6.3%(V)
Thermal conductivity	0.145 W/(m·K) at 25 ℃
JECFA Number	1241
Merck	14,669
BRN	506892
Henry's law constant	2.9×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant	4.3(20℃)
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey	RDOXTESZEPMUJZ-UHFFFAOYSA-N
SMILES	COc1ccccc1
LogP (partition coefficient)	2.62 at 30℃
CAS DataBase Reference	100-66-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)	ANISOLE
FDA 21 CFR	172.515
EWG's Food Scores	1
FDA UNII	B3W693GAZH
NIST Chemistry Reference	Benzene, methoxy-(100-66-3)
EPA Substance Registry System	Anisole (100-66-3)
UNSPSC Code	41116107
NACRES	NA.24
GHS pictogram	GHS02,GHS08
Signal word	Danger
GHS hazard statements	H303-H304-H402-H226
GHS precautionary statements	P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P312-P331-P303+P361+P353-P301+P310-P403+P235-P405
Target organs	Central nervous system
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbols	Xn,Xi
Risk statements (R)	10-38-20-36/37
Safety statements (S)	37/39-26-16-24/25
UN transport number	UN 2222
Water hazard class (WGK)	2
RTECS number	BZ8050000
Autoignition temperature	887 °F
TSCA inventory status	TSCA listed
Hazard class	3Flam. Liq. 3STOT SE 3
Packing group	III
Customs code	29093090
Storage class	3 - Flammable liquids
Hazardous substances data	100-66-3(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 3700 mg/kg (Taylor)
REACH registrations	Active
Limited quantities	5.0 L (1.3 gallons) (liquid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2013) of reports.WarningH226 (> 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 exposureNarcotic effects]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)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.
Regulatory information	Chemical: Benzene, methoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzene, methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14423Status: Active Update: 16-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16204Status: Active Update: 21-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6974Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31271Benzene, methoxy-: HSNO Approval: HSR001037 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT label	Flammable Liquid
Fire hazards	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Runoff to sewer may create fire or explosion hazard.· Containers may explode when heated.· Many liquids will float on water.· Substance may be transported hot.· For hybrid vehicles, GUIDE 147 (lithium ion or sodium ion batteries) or GUIDE 138 (sodium batteries) should also be consulted.· If molten aluminum is involved, refer to GUIDE 169.Flammable. Above 52 °C explosive vapour/air mixtures may be formed.
Health hazards	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.· Inhalation or contact with material may irritate or burn skin and eyes.· Fire may produce irritating, corrosive and/or toxic gases.· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.· Runoff from fire control or dilution water may cause environmental contamination.
Hazards summary	Causes CNS depression in high-dose animal studies[HSDB] A skin, eye, and respiratory tract irritant[ICSC] May cause irritation[MSDSonline]
DOT ID and guide	2222 128
FDA requirements	Anisole is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Reactive group	Ethers
UN classification	UN Hazard Class: 3UN Pack Group: III
Special Reports	OPDYKE DL JMONOGRAPHS ON FRAGRANCE RAW MATERIALS. ANISOLEFOOD TOXICOL 17(3) 243 (1979). A REVIEW WITH 37 REF ON ANISOLE INCLUDING TOXICITY, IRRITATION, SENSITIZATION, METAB, PHARMACOLOGY, TUMOR PROMOTING ACTIVITY, & CYTOTOXICITY.Schultz TW et alJ Appl Toxicol 13 (6): 429-34 (1993). Predicted toxicities of aryl alkanols and related compounds /including anisole to Tetrahymena pyriformis in a population growth impairment assay/.
Reactivity Alerts	Highly FlammablePeroxidizable Compound
Reactivity Profile	Ethers, such as ANISOLE can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
Fire fighting	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. (ERG, 2024)Use foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First aid measures	Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Refer for medical attention .
Accidental release measures	· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.· All equipment used when handling the product must be grounded.· Do not touch or walk through spilled material.· Stop leak if you can do it without risk.· Prevent entry into waterways, sewers, basements or confined areas.· A vapor-suppressing foam may be used to reduce vapors.· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.· Use clean, non-sparking tools to collect absorbed material.Large Spill· Dike far ahead of liquid spill for later disposal.· Water spray may reduce vapor, but may not prevent ignition in closed spaces.
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)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 resuscitationthe 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, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· Wash skin with soap and water.
Safe storage	Fireproof.
Exposure control and personal protection	· Wear positive pressure self-contained breathing apparatus (SCBA).· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.
Fire fighting procedures	If material on fir or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.
Nonfire spill response	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)
Disposal methods	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spillage disposal	Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive Measures	If material not on fire and not involved in fire: keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. ... If contact with the material anticipated, wear appropriate chemical protective clothing.
Isolation and Evacuation	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)Immediate precautionary measure· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.· Consider initial downwind evacuation for at least 300 meters (1000 feet).· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions.
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).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).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).
Food survey values	Anisole is a meat flavor volatile(1).
Adverse effects	Neurotoxin - Acute solvent syndrome
Exposure routes	The substance can be absorbed into the body by inhalation.
Signs and Symptoms	Burning sensation. Cough. Sore throat.Dry skin. Redness.Redness. Pain.
Effluent Concentrations	In a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the U.S. EPA, anisole was identified in discharges of the following industrial category (positive occurrences, median concn in ppb): organics and plastics (564.8) and organic chemicals (3025.4)(1). The highest effluent concn in these industrial categories was 8660 ppb and 753 ppb, respectively(1). Anisole was found in 1 of 3 samples of trench leachate from the West Valley waste disposal site at a concn of 2.7 mg/L(2). Anisole was found in ponds holding wastes from olive oil production(3). It has also been detected in wastewater from coal gasification plants(4,5) and in one case reported to be 0.2 mg/L(4). Anisole was present in raw wastewater and final effluent from a dye manufacturing plant at levels of 37-190 ppb and 5-71 ppb, respectively(6).
Soil Adsorption/Mobility	An experimental Koc of 35 has been reported for anisole(1). Using an estimation method based on molecular connectivity indices(2), the Koc for anisole is estimated to be 118(SRC). According to a suggested classification scheme(3), these Koc values respectively suggest that anisole would be very highly mobile and highly mobile in soil and would readily leach(SRC).
Natural Pollution Sources	Anisole was identified as a compound isolated from essential oil of ocmum selloi.Anisole has been found in lakes in the vicinity of Mount St Helens that received pyroclastic flow resulting from the volcanic eruption(1). It may also be formed during the combustion of hydrocarbons(2-4). This suggests that anisole may be formed naturally in the environment when hydrocarbons are burned(SRC). Since anisole has been reported as a meat flavor volatile(5), it may naturally occur in meat or be formed during cooking(SRC).
Human Toxicity Excerpts	... Human volunteers exposed to 200 mg/cu m /exposure time not specified/ experienced burning in the throat, irritation of the eyes and a foreign taste in the mouth.
Artificial Pollution Sources	Anisole may be released to the environment during its manufacture, transport, disposal, and use(SRC) as an intermediate in the manufacture of organic compounds, for example fragrances and pharmaceuticals, and as a solvent and heat transfer medium(2). Anisole is formed as an impurity in the production of o-cresol and 2,6-xylenol by the alkylation of phenol with methanol(1). Anisole may be emitted from kerosine space heaters(3) and may occur in automobile exhaust(4,5).
Environmental Biodegradation	In a 2-week biodegradation screening test (MITI test) using anisole (100 ppm) and an activated sludge inoculum, 56% of BOD was removed and at the end of the 2-week period there was an upward trend in BOD consumption(1). Anisole was readily biodegradable in another screening test>70% DOC and >60% BOD were removed in this test(3). Anisole completely degraded in a biodegradation test that utilized a soil inoculum(2).
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, 22mosquito larva, 27algae, 563daphnia, 771snails, 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).
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)	2
TSCA inventory status	TSCA listed
RTECS number	BZ8050000
UN transport number	UN 2222
Customs code	29093090
Toxicity	LD50 orally in rats: 3700 mg/kg (Taylor)
Risk statements (R)	10-38-20-36/37
Signal word	Danger
GHS pictogram	GHS02,GHS08
Hazard symbols	Xn,Xi
Safety statements (S)	37/39-26-16-24/25
Hazard class	3Flam. Liq. 3STOT SE 3
Storage class	3 - Flammable liquids
Packing group	III
Target organs	Central nervous system
GHS hazard statements	H303-H304-H402-H226
Limited quantities	5.0 L (1.3 gallons) (liquid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH registrations	Active
Autoignition temperature	887 °F
GHS precautionary statements	P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P312-P331-P303+P361+P353-P301+P310-P403+P235-P405
Hazardous substances data	100-66-3(Hazardous Substances Data)

Applications & Uses

Uses

1. Anisole is a solvent used in the synthesis of organic compounds and in large-scale applications such as the production of perfumes.2. GB2760-1996 stipulates it as allowable usable spices in food. It is mainly used for the preparation of vanilla, fennel and beer flavor.3. It is used for analyzing the reagents, solvents, and used for preparing perfumery and enteral pesticides.4. Anisole has been used directly in the synthesis of the marine pyrrole alkaloids polycitone A and B and the nonylphenol isomer 4-(3',6'-dimethyl-3-heptyl)phenol.5. It is used as solvents for recrystallization, fillers of thermostat, and used for measuring refractive index, as spices and organic synthesis intermediates.

Description

Anisole is a colorless liquid with a spicy-sweet smell. Anisole can be produced by all the aforementioned methods. It is an important intermediate in the synthesis of organic compounds, for example fragrances and pharmaceuticals. The compound is also used as a solvent and as a heat transfer medium.

Occurrence

Anisole is a natural product found in apple juice and in the oil of Artemisia dracunculus var. turkestanica; also reported found in butter, Camembert cheese, roasted beef, olive (Olea europae), Malay apple, Jerusalem artichoke (Helianthus tuberosus), Bourbon vanilla, truffles, crab and sopadilla fruit (Achras sapota L.).

Uses

Anisole is widely used as a solvent for the synthesis of various organic compounds, anethole, nonylphenol isomer 4-(3',6'-dimethyl-3-heptyl)phenol, perfumes, insect pheromones and pharmaceuticals. It finds application in the preparation of inorganic complexes and materials such as tin-core/tin oxide nanoparticles.

General Description

A clear straw-colored liquid with an aromatic odor. Insoluble in water and the same density as water. Vapors heavier than air. Flash point 125°F. Boiling point 307°F. Moderately toxic by ingestion. A skin irritant. Used to make perfumes, flavorings and as a solvent.

Preparation & Synthesis

Preparation

Anisole is synthesized by reacting phenol and dimethyl sulfate in the presence of aqueous NaOH; by passing methyl chloride into a suspension of sodium phenolate in liquid ammonia.