ChemicalBook CAS DataBase List 104-93-8

104-93-8

Name	4-Methylanisole
CAS	104-93-8
EINECS(EC#)	203-253-7
Molecular Formula	C8H10O
MDL Number	MFCD00008413
Molecular Weight	122.16
MOL File	104-93-8.mol

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

Chemical Properties

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. less more
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 Data

Symbol(GHS)	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. less more
Safety Statements	S36/37:Wear suitable protective clothing and gloves . S16:Keep away from sources of ignition-No smoking . less more
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. less more
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). less more

Raw materials And Preparation Products

Hazard Information

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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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