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100-66-3

100-66-3 Structure

100-66-3 Structure
IdentificationMore
[Name]

Anisole
[CAS]

100-66-3
[Synonyms]

ANISOL
ANISOLE
AQUALINE STANDARD 1.0
FEMA 2097
METHOXYBENZENE
METHYL PHENYL ETHER
MOB
PHENOL METHYL ETHER
Phenyl methyl ether
Anizol
benzene,methoxy
Benzene,methoxy-
Ether, methyl phenyl-
ether,methylphenyl
femanumber:2097
methoxy-benzen
Phenoxymethane
Anisole
Methoxybenzene
Methyoxybenzine
ANISOLE, STANDARD FOR GC
[EINECS(EC#)]

202-876-1
[Molecular Formula]

C7H8O
[MDL Number]

MFCD00008354
[Molecular Weight]

108.14
[MOL File]

100-66-3.mol
Chemical PropertiesBack Directory
[Appearance]

Anisole is a colorless to yellowish liquid with an agreeable, aromatic, spicy-sweet odor.
[Appearance]

Clear straw colored liquid
[mp ]

-37 °C
[bp ]

154 °C(lit.)
[density ]

0.995 g/mL at 25 °C(lit.)
[vapor density ]

3.7 (vs air)
[vapor pressure ]

10 mm Hg ( 42.2 °C)
[refractive index ]

n20/D 1.516(lit.)
[FEMA ]

2097
[Fp ]

125 °F
[storage temp. ]

Store at RT.
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Water Solubility ]

1.6 g/L (20 ºC)
[Merck ]

14,669
[Detection Methods]

GC
[BRN ]

506892
[CAS DataBase Reference]

100-66-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, methoxy-(100-66-3)
[EPA Substance Registry System]

100-66-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R38:Irritating to the skin.
R20:Harmful by inhalation.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2222 3/PG 3
[WGK Germany ]

2
[RTECS ]

BZ8050000
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29093000
[Safety Profile]

Moderately toxic by ingestion and inhalation. A skin irritant. A flammable liquid. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid fumes.
[Hazardous Substances Data]

100-66-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Dimethyl sulfate-->Phenol-->Dimethyl ether
[Preparation Products]

1-Methyl-1H-imidazole-4-carboxylic acid-->Imidazole-4-methanol-->4,5-Imidazoledicarboxylic acid-->1-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID-->Cefdinir-->1,5-Diazabicyclo[4.3.0]non-5-ene-->4,5-DICARBOXY-1-METHYL-1H-IMIDAZOLE-->ALLURA RED AC-->Diaveridine-->Ceftibuten-->PYRIDIN-4-YLMETHYL-HYDRAZINE-->PYRIDIN-2-YLMETHYL-HYDRAZINE-->1H-Imidazole-4-carboxylic acid-->Methyldopa-->1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE-->PYRIDIN-3-YLMETHYL-HYDRAZINE-->Lawesson's Reagent-->6-Hydroxy-1-naphthoic acid-->Disperse Blue BGL-->Bunazosin hydrochloride-->CHLOROTRIANISENE-->cleaner LS-->Cefcapene pivoxil-->Verapamil-->6-METHOXY-1-NAPHTHOIC ACID-->poly AO-79-->Alacepril-->trisodium [5-acetamido-4-hydroxy-3-[[2-hydroxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonato(5-)]cuprate(3-) -->2-Bromoanisole-->3-(4-METHOXYBENZOYL)PROPIONIC ACID-->1H-Imidazole-4,5-dicarbonitrile-->4-Chloro-4'-hydroxybenzophenone-->4-chloro-4'-methoxybenzophenone-->1-CHLOROMETHYL-2,3,4-TRIMETHOXYBENZENE-->METHOXYCHLOR-->Anisyl acetate-->Fast Scarlet Base LG-->2,4,6-TRIBROMOANISOLE-->Fenofibrate-->4-Fluoro-4'-methoxybenzophenone
Hazard InformationBack Directory
[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.
[Reactivity Profile]

Ethers, such as ANISOLE(100-66-3) 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.
[Air & Water Reactions]

Flammable. Ethers tend to form unstable peroxides when exposed to oxygen. Ethyl, isobutyl, ethyl tert-butyl, and ethyl tert-pentyl ether are particularly hazardous in this respect. Ether peroxides can sometimes be observed as clear crystals deposited on containers or along the surface of the liquid. Insoluble in water
[Health Hazard]

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 suffocation. Runoff from fire control or dilution water may cause pollution.
[Potential Exposure]

Anisole is used as a solvent; a flavoring, vermicide, making perfumes; and in organic synthesis.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2222 Anisole, Hazard Class: 3; Labels: 3- Flammable liquid.
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

anisole(100-66-3).msds
Questions And AnswerBack Directory
[Product Features]

Anisole, also known as anise ether, methoxybenzene methyl phenyl ether, is a colorless liquid with an odor of anise, sweet, naturally present in the tarragon oil, insoluble in water, soluble in alcohol, ether, acetone, soluble in benzene. It irritates the eyes and mucous membranes. It is obtained originally from distilled methyl salicylate or methoxybenzoate, is now mainly produced through the reaction of methylating agent of dimethyl sulfate with phenol in alkaline aqueous solution. Anisole is prone to start Electrophilic substitution reaction in aromatic nucleus, and condensed with formaldehyde to produce viscous oil or resin material, reacts with phosphorus trichloride to produce chlorine anisole and a small amount of o-chloro product, reacts with thionyl chloride to produce 2,4,6-trichloroanisole. In addition, anisole is heated to react with hydrobromic or hydroiodic, carbon-oxygen bond cleaves, phenol and halogenated methane is produced, which is an important method for determining methoxy group of benzene ring.
The above information is edited by the chemicalbook of Yan Yanyong.
[Toxicity]

GRAS (FEMA).
LD50 3700 mg/kg (rat, oral).
[Limited use]

FEMA (mg/kg): Soft drinks 9.0, cold 16, confectionery51, bakery 34.
limited in moderation (FDA§172.515,2000).
[Chemical properties]

It is a colorless liquid, with an aromatic odor, insoluble in water, soluble in alcohol, ether.
[Uses]

1. GB2760-1996 stipulates it as allowable usable spices in food. It is mainly used for the preparation of vanilla, fennel and beer flavor.
2. It is used for analyzing the reagents, solvents, and used for preparing perfumery and enteral pesticides.
3. It is used for the production of perfumes, dyes, pharmaceuticals, pesticides, also used as a solvent.
4. It is used in organic synthesis, also used as solvents, perfume and insect repellent.
5. It is used as solvents for recrystallization, fillers of thermostat, and used for measuring refractive index, as spices and organic synthesis intermediates.
[Production method]

It is produced through the reaction of methylating agent of dimethyl sulfate with phenol in alkaline aqueous solution. Phenol was mixed with sodium hydroxide solution, dimethyl sulfate was slowly added at below 10 ℃. And then heat to 40 ℃, reflux for 18h, then stand for separation of the oil and dried with anhydrous calcium chloride, vacuum distillation to obtain anisole.
It is derived by introducing the methyl chloride into the sodium phenol of liquid ammonia to react.
It is generated from heating phenol and methanol.
It is obtained from the reaction of phenol with dimethyl sulfate in the presence of sodium hydroxide.
[Category]

Flammable liquid
[Toxicity grading]

Moderate toxicity
[Acute toxicity]

Oral-rat LD50: 3700 mg/kg. Oral-Mouse LD50: 2800 mg/kg
[Stimulus data]

Skin-rabbit 500 mg/24 hours moderate
[Flammability hazard characteristics]

In case of fire, high temperature, strong oxidants, it is combustible. Burning discharges irritative smoke.
[Storage feature]

complete package, with care, warehouse ventilation, away from open flame, heat, and stored separately from oxidants
[Extinguishing agents]

Foam, carbon dioxide, dry sandy, soil
[Occupational standards]

STEL 10 mg/m3
Spectrum DetailBack Directory
[Spectrum Detail]

Anisole(100-66-3)IR2
Anisole(100-66-3)13CNMR
Anisole(100-66-3)MS
Anisole(100-66-3)Raman
Anisole(100-66-3)1HNMR
Anisole(100-66-3)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Anisole, extra pure, 99%(100-66-3)
[Alfa Aesar]

Anisole, 99%(100-66-3)
[Sigma Aldrich]

100-66-3(sigmaaldrich)
[TCI AMERICA]

Anisole,>99.0%(GC)(100-66-3)
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