CAS No.: 100-66-3 Formula: C7H8O Molecular Weight: 108.13800
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CAS No.: 100-66-3 Formula: C7H8O Molecular Weight: 108.13800
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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.

Basic Info

Chemical Name anisole

Methoxybenzene; Anizol; Benzene,methoxy; Anisol; Methyl phenyl ether; Phenyl methyl ether; Benzene, methoxy-; Anisole; Anisole,AcroSeal,Extra Dry; Phenoxymethane; Expand

CAS No. 100-66-3
Molecular Formula C7H8O
Molecular Weight 108.13800
PSA 9.23000
LogP 1.69520

Numbering system

MDL number MFCD00008354
EINECS number 202-876-1


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
Hazard Class 3
Safety Statements S16-S26-S37/39
WGK Germany 2
Packing Group III
Risk Statements R10; R20; R38
Hazard Codes Xn
Supplemental Hazard Statements Repeated exposure may cause skin dryness or cracking.
Signal Word Warning
Hazard Declaration H226
Caution Statement P210; P370 + P378
Symbol GHS02
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3


C7 H8 O 0.05 ml : 0.5 ml CDCl3

Assign. Shift(ppm)
A 7.259
B 6.919
C 6.880
D 3.745

IR : CCl4 solutionExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,200 M,liquidExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Standard Draize test Rodent - rabbit 500 mg/24H -
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 3700 mg/kg 1.Behavioral-somnolence (general depressed activity)
2.Gastrointestinal-changes in structure or function of salivary glands
3.Kidney, Ureter, Bladder-hematuria
Inhalation LC50 - Lethal concentration, 50 percent kill Rodent - rat >5000 mg/m3 1.Details of toxic effects not reported other than lethal dose value
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