anisole

CAS No. 100-66-3

Formula: C7H8O
Basic Info

Anisole, or methoxybenzene, is an organic compound with the formula CH3OC6H5. It is a colorless liquid with a smell reminiscent of anise seed, and in fact many of its derivatives are found in natural and artificial fragrances. The compound is mainly made synthetically and is a precursor to other synthetic compounds. It is an ether.

Formula
C7H8O
Molecular Weight
108.138
Exact Mass
108.058
LogP
1.6952
PSA
9.23
Synonyms

Methoxybenzene

Anizol

Benzene,methoxy

Anisol

Methyl phenyl ether

Phenyl methyl ether

Benzene, methoxy-

Anisole

Anisole,AcroSeal,Extra Dry

Phenoxymethane

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Properties
Appearance & Physical State
clear straw colored liquid
Density
0.995
Boiling Point
154ºC
Melting Point
-37ºC
Flash Point
43ºC
Refractive Index
1.516-1.519
Water Solubility
1.6 g/L (20 ºC)
Stability
Stable. Flammable. Incompatible with strong oxidizing agents.
Storage Condition
Store at RT.
Vapor Density
3.7 (vs air)
Vapor Pressure
10 mm Hg ( 42.2 °C)
Safety Info
RTECS
BZ8050000
Safety Statements
S16-S26-S37/39
WGK Germany
2
Risk Statements
R10; R20; R38
RIDADR
UN 2222
Hazard Class
3
Packing Group
III
Caution Statement
P210; P370 + P378
Hazard Codes
Hazard Declaration
Caution Statement
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
500 mg/24H
Toxic Effects
--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,243,1979
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
3700 mg/kg
Toxic Effects
Behavioral--somnolence (general depressed activity)<br>Gastrointestinal--changes in structure or function of salivary glands<br>Kidney, Ureter, Bladder--hematuria
Reference
Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,378,1964
ACUTE TOXICITY DATA
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Type of Test
LC50 - Lethal concentration, 50 percent kill
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
>5000 mg/m3
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(6),43,1984

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