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4-Methylanisole

Product Name4-Methylanisole
CAS104-93-8
MFC8H10O
MW122.16
EINECS203-253-7
MOL File104-93-8.mol

Chemical Properties

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)
refractive index	n20/D 1.511(lit.)
FEMA	2681 \| P-METHYLANISOLE
Flash point	128 °F
storage temp.	Sealed in dry,Room Temperature
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
Odor Type	naphthyl
biological source	synthetic
explosive limit	1.1-8.3%(V)
Odor Threshold	0.0012ppm
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
Stability	Stable. Incompatible with strong oxidizing agents. Combustible.
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℃
CAS DataBase Reference	104-93-8(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-methoxy-4-methyl-(104-93-8)
EPA Substance Registry System	p-Methylanisole (104-93-8)

Safety Information

Hazard Codes	Xn
Risk Statements	22-38-10-52/53-63
Safety Statements	36/37-16-61
RIDADR	UN 1993 3/PG 3
WGK Germany	1
RTECS	BZ8780000
TSCA	TSCA listed
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
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).

MSDS

Provider	Language
4-Methylanisole	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Description

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

Chemical Properties

p-Methylanisole has a pungent odor suggestive of ylang-ylang.

Chemical Properties

colourless liquid

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).

Uses

4-Methylanisole may be used as an analytical standard for the determination of the analyte in Malus taxa flowers, coffee brews, aqueous matrices, food products, and Ficus semicordata by various chromatography techniques.

Uses

4-Methylanisole was used to prepare 5-methoxy-1,8-dimethyltetralin. It was also used as the solubilizate molecule to study the site of incorporation of solubilizates in sodium dodecyl sulfate (SDS) micellar systems.

Uses

Perfumery, flavoring.

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.

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.

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.]

4-Methylanisole

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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