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100-66-3

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Identification

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 Properties

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 Data

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 Products

Hazard Information

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)

msds information
anisole(100-66-3).msds

Questions And Answer

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

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