ChemicalBook--->CAS DataBase List--->104-93-8

104-93-8

104-93-8 Structure

104-93-8 Structure
IdentificationMore
[Name]

4-Methylanisole
[CAS]

104-93-8
[Synonyms]

1-METHOXY-4-METHYLBENZENE
4-METHOXYTOLUENE
4-METHYLANISOLE
FEMA 2681
METHYL-P-CRESOL
METHYL P-TOLYL ETHER
MSO
PARA CRESYL METHYL ETHER
P-CRESOL METHYL ETHER
P-CRESYL METHYL ETHER
P-METHOXYTOLUENE
P-METHYLANISOLE
P-METHYL TOLYL ETHER
1-methoxy-4-methyl-benzen
1-Methyl-4-methoxybenzene
4-Cresolmethylether
4-methoxy-toluen
4-Methyl-1-methoxybenzene
4-methylmethoxybenzene
4-Methylphenol methyl ether
[EINECS(EC#)]

203-253-7
[Molecular Formula]

C8H10O
[MDL Number]

MFCD00008413
[Molecular Weight]

122.16
[MOL File]

104-93-8.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-32°C
[Boiling point ]

174 °C(lit.)
[density ]

0.969 g/mL at 25 °C(lit.)
[vapor pressure ]

5.25 mm Hg ( 50 °C)
[FEMA ]

2681
[refractive index ]

n20/D 1.511(lit.)
[Fp ]

128 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Soluble), Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Odor]

at 1.00 % in dipropylene glycol. naphthyl cresol ylang powdery nutty
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[biological source]

synthetic
[explosive limit]

1.1-8.3%(V)
[Odor Threshold]

0.0012ppm
[Odor Type]

naphthyl
[Water Solubility ]

slightly soluble
[λmax]

279nm(MeOH)(lit.)
[JECFA Number]

1243
[BRN ]

1237336
[Henry's Law Constant]

2.1×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
[Dielectric constant]

4.0300000000000002
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
[InChIKey]

CHLICZRVGGXEOD-UHFFFAOYSA-N
[SMILES]

COc1ccc(C)cc1
[LogP]

2.74-2.8 at 25-35℃
[Uses]

Perfumery, flavoring.
[CAS DataBase Reference]

104-93-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-methoxy-4-methyl-(104-93-8)
[EPA Substance Registry System]

104-93-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H226-H302-H315-H361-H412
[Precautionary statements ]

P202-P210-P273-P301+P312-P303+P361+P353-P308+P313
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R38:Irritating to the skin.
R10:Flammable.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

1
[RTECS ]

BZ8780000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29093090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 3
Repr. 2
Skin Irrit. 2
[Safety Profile]

Moderately toxic by ingestion. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

104-93-8(Hazardous Substances Data)
[Toxicity]

The acute oral LD50 in rats was reported as 1.92 (1.51-2.45) g/kg (Hart, 1971). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Hart, 1971).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Cresol-->2-Methylanisole-->Benzene, 1,1'-[thiobis(methylene)]bis[4-methoxy--->Tributyl(4-methoxyphenyl)stannane-->4-Methoxybenzyl mercaptan-->Tetramethyltin-->Sodium methyl sulfate-->4-Methoxybenzyl alcohol-->4-Methoxybenzyl cyanide-->Benzoic acid, 4-broMo-, phenyl ester
[Preparation Products]

p-Anisaldehyde-->2-Methoxy-5-methylaniline-->VESNARINONE-->Acid Orange 156-->Benzene, 1-methyl-4-(1-methylethoxy)--->trinitromethane-->p-Anisaldehyde dimethyl acetal
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methylanisole(104-93-8).msds
Hazard InformationBack Directory
[Description]

p-Methylanisole has a pungent odor suggestive of ylang-ylang. May be prepared by methylation of p-cresol.
[Chemical Properties]

colourless liquid
[Chemical Properties]

p-Methylanisole has a pungent odor suggestive of ylang-ylang.
[Occurrence]

Reported found in the oils of ylang-ylang, cananga and flowers of Mimusops elengi L. Also reported found in tomato, blue and Camembert cheese, starfruit, buckwheat, rooibus tea (Aspalathus linearis) and tapereba (Spondias lutea).
[Definition]

ChEBI:1-Methoxy-4-methylbenzene is a member of methoxybenzenes.
[Preparation]

By methylation of p-cresol.
[Aroma threshold values]

Detection: 200 ppb
[Taste threshold values]

Taste characteristics at 20 ppm: naphthyl, phenolic, camphoraceous, cooling and woody.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 113, p. 8516, 1991 DOI: 10.1021/ja00022a046
Tetrahedron Letters, 32, p. 2759, 1991 DOI: 10.1016/0040-4039(91)85078-J
The Journal of Organic Chemistry, 59, p. 4687, 1994 DOI: 10.1021/jo00095a054
[General Description]

4-Methylanisole is an odorant benzenoid belonging to the group of volatile organic compounds (VOCs). It can contribute to the floral scent of the plants. 4-Methylanisole is typically a lignin-derived bio-oil that is also a major ingredient of certain food products.
[Purification Methods]

Dissolve 4-methyl anisole in diethyl ether, wash it with M NaOH, water, dry (Na2CO3), evaporate and distil it under vacuum. The picrate has m 103o (from aqueous EtOH). [Beilstein 6 IV 2098.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylanisole(104-93-8)MS
4-Methylanisole(104-93-8)1HNMR
4-Methylanisole(104-93-8)13CNMR
4-Methylanisole(104-93-8)IR1
4-Methylanisole(104-93-8)IR2
4-Methylanisole(104-93-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Methylanisole, 99%(104-93-8)
[Alfa Aesar]

4-Methylanisole, 99%(104-93-8)
[Sigma Aldrich]

104-93-8(sigmaaldrich)
[TCI AMERICA]

4-Methoxytoluene,>98.0%(GC)(104-93-8)
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