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Cas Database

Name	3-methylanisole	EINECS	202-893-4
CAS No.	100-84-5	Density	0.941 g/cm³
PSA	9.23000	LogP	2.00360
Solubility	Soluble in alcohol and insoluble in water.	Melting Point	-47oC
Formula	C₈H₁₀O	Boiling Point	172.2 °C at 760 mmHg
Molecular Weight	122.167	Flash Point	54.4 °C
Transport Information	UN 1993 3/PG 3	Appearance	colourless liquid
Safety	16-23-24/25	Risk Codes	10-22
Molecular Structure		Hazard Symbols	Xn
Synonyms	Anisole,m-methyl- (8CI);1-Methoxy-3-methylbenzene;3-Cresol methyl ether;3-Methoxytoluene;3-Methyl-1-methoxybenzene;Methyl m-tolylether;NSC 6255;m-Cresol methyl ether;m-Cresyl methyl ether;m-Methoxytoluene;m-Methylanisole;	Article Data	111

3-methylanisole Synthetic route

: 6971-51-3
3-methoxybenzyl alcohol

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With palladium dichloride In methanol at 40℃; for 18h; Inert atmosphere; Green chemistry; chemoselective reaction;	99%
With [IrCl(CO)(PPh3)2]; hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Wolff-Kishner Reduction; Sealed tube;	86%
With [IrCl(CO)(PPh3)2]; hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Sealed tube;	86%
With carbon monoxide; hydrogen; benzene unter Zusatz von Octacarbonyldikobalt und CoCO3 auf 190grad/238 at;
Multi-step reaction with 3 steps 1: 78 percent / sodium iodide; sodium hydride / tetrahydrofuran / 0 - 20 °C 2: sulfuryl chloride / CH2Cl2 / -78 °C 3: lithium; 4,4'-di-tert-butylbiphenyl / tetrahydrofuran / 1 h / 0 °C View Scheme

: 27060-75-9
4-bromo-3-methylanisole

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With potassium carbonate; butan-1-ol; palladium diacetate; triphenylphosphine at 100℃; for 14h;	98%

: 19924-43-7
3-methoxyphenylacetonitrile

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
Stage #1: 3-methoxyphenylacetonitrile With 15-crown-5; sodium In tetrahydrofuran; hexane at 0℃; for 0.333333h; Birch Reduction; Inert atmosphere; Stage #2: With water In tetrahydrofuran; hexane at 0℃; for 1h; Birch Reduction; Inert atmosphere; chemoselective reaction;	98%
Stage #1: 3-methoxyphenylacetonitrile With dibenzo-18-crown-6; sodium In tetrahydrofuran; toluene at 0℃; for 0.333333h; Inert atmosphere; Stage #2: With propan-1-ol In tetrahydrofuran; toluene at 0℃; for 1h;	78%

: 591-31-1
3-methoxy-benzaldehyde

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
Stage #1: 3-methoxy-benzaldehyde With iron(III) chloride In methanol at 20℃; for 0.05h; Stage #2: In methanol at 20℃; for 0.166667h; chemoselective reaction;	95%
With borohydride exchange resin; nickel diacetate In methanol for 3h; Ambient temperature;	93%
With triethylsilane; palladium dichloride In ethanol for 0.5h; Inert atmosphere;	86.0 %Chromat.
With triethylsilane; palladium dichloride In ethanol at 20℃; for 0.5h; Inert atmosphere;	86 %Chromat.

: 63452-69-7
1-iodo-4-methoxy-2-methylbenzene

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With potassium carbonate; butan-1-ol; palladium diacetate; triphenylphosphine at 100℃; for 1h;	93%

: 74-87-3
methylene chloride

: 108-39-4
3-methyl-phenol

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With benzyltrimethylammonium chloride; sodium hydroxide In water at 70℃; Concentration; Temperature; Autoclave;	92.2%

: 155496-74-5
1-Methoxy-3-methyl-2-(2-methyl-propane-2-sulfonyl)-benzene

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With bis(acetylacetonate)nickel(II); isopropylmagnesium chloride In tetrahydrofuran at 20℃; for 20h;	92%

: 77-78-1
dimethyl sulfate

Amberlite IRA-400 m-cresolate anion: Amberlite IRA-400 m-cresolate anion

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
In methanol for 1.6h; Methylation;	92%

: 108-39-4
3-methyl-phenol

: 77-78-1
dimethyl sulfate

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With sodium hydroxide at 50℃; for 5h;	91.8%
With sodium hydroxide

: 67-56-1
methanol

: 591-24-2, 625-96-7
3-Methylcyclohexanone

: 100-84-5
1-methoxy-3-methyl-benzene

Conditions

Conditions	Yield
With ethene; 5%-palladium/activated carbon at 130℃; under 760.051 Torr;	88%

3-methylanisole Chemical Properties

IUPAC Name: 1-methoxy-3-methylbenzene
The MF of 3-methylanisole(100-84-5): C₈H₁₀O
The MW of 3-methylanisole(100-84-5): 122.16
EINECS: 202-893-4
bp: 175-176 °C(lit.)
density: 0.969 g/mL at 25 °C(lit.)
refractive index: n20/D 1.513(lit.)
Fp: 130 °F
storage temp.: Flammables area
Appearance: Clear very slight yellow liquid.
Solubility in water: Insoluble
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Aromatic Ethers;AnisoleSeries;Anisoles, Alkyloxy Compounds & Phenylacetates;Ethers;Organic Building Blocks;Oxygen Compounds
Synonyms: 1-METHOXY-3-METHYLBENZENE;AMBROL;3-METHOXYTOLUENE;3-METHYLANISOLE;METHYL M-TOLYL ETHER;METHYL-M-CRESOL;M-CRESOL METHYL ETHER;M-CRESYL METHYL ETHER
The Structure of 3-methylanisole(100-84-5):

3-methylanisole Uses

3-methylanisole(100-84-5) is mainly used for synthetic dyes and pharmaceutical intermediates.

3-methylanisole Toxicity Data With Reference

1. mouse LD intraperitoneal > 500mg/kg (500mg/kg)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.

3-methylanisole Safety Profile

Hazard Codes:

Xn
Risk Statements: 10-22
10: Flammable
22: Harmful if swallowed
Safety Statements: 16-23-24/25
16: Keep away from sources of ignition - No smoking
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: BZ8778000
HazardClass: 3
PackingGroup: III

3-methylanisole Specification

1. First Aid Measures
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Handling:
Wash thoroughly after handling. Use only in a well ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.

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