Methylphenylsulfid

Methylphenylsulfid - Names and Identifiers

Name	Thioanisole
Synonyms	Thioanisole Anisole, thio- Methylphenylsulfid Methylphenylsulfide (methylthio)-benzen (1-Thiaethyl)benzene Methyl phenyl sulfide 1-Phenyl-1-thiaethane Methyl phenyl sulphide (methylsulfanyl)benzene (Methylsulfanyl)benzene
CAS	100-68-5
EINECS	202-878-2
InChI	InChI=1/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Methylphenylsulfid - Physico-chemical Properties

Molecular Formula	C7H8S
Molar Mass	124.2
Density	1.057g/mLat 20°C(lit.)
Melting Point	−15°C(lit.)
Boling Point	188°C(lit.)
Flash Point	135°F
JECFA Number	459
Water Solubility	INSOLUBLE
Vapor Presure	38.5 Pa (20 °C)
Appearance	Liquid
Specific Gravity	1.058
Color	Clear light yellow to brown-yellow
BRN	1904179
Storage Condition	Store below +30°C.
Stability	Stable. Combustible. Incompatible with strong oxidizing agents.
Sensitive	Stench
Refractive Index	n20/D 1.587(lit.)
Physical and Chemical Properties	Colorless liquid, boiling point 187-188oC, relative density 1.0533, flash point 75oC, refractive index 1.5842. Insoluble in water, soluble in general organic solvents.
Use	Used as pesticide, medicine, dye intermediates

Methylphenylsulfid - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/39 - S36/37 - Wear suitable protective clothing and gloves.
UN IDs	UN 1993 3/PG 3
WGK Germany	3
RTECS	DA6200000
FLUKA BRAND F CODES	13
TSCA	Yes
HS Code	29309070
Hazard Note	Harmful/Stench
Hazard Class	9
Packing Group	III
Toxicity	LD50 orally in Rabbit: 891 mg/kg

Methylphenylsulfid - Nature

Open Data Verified Data

colorless liquid. Boiling Point 187~188 deg C. The relative density was 1. 0533. Refractive index 1.5842. Flash point 75 °c. Insoluble in water, soluble in general organic solvents.

Last Update：2024-01-02 23:10:35

Methylphenylsulfid - Preparation Method

Open Data Verified Data

the thiophenol method is obtained by reacting thiophenol with dimethyl sulfide.
The diazonium salt was prepared by diazotization of aniline by aniline method and then reacted with sodium methyl mercaptan.

Last Update：2022-01-01 10:56:10

Methylphenylsulfid - Use

Open Data Verified Data

This product is used as a raw material for synthetic antibiotics and anti-ulcer drugs in medicine; It is used as a raw material for synthetic insecticides, fungicides and herbicides in pesticide. It is also used as a stabilizer for vitamin A, an antioxidant for aromatic amines, a lubricant additive, and a raw material for perfume synthesis.

Last Update：2022-01-01 10:56:10

Methylphenylsulfid - Reference Information

FEMA	3873 \| METHYL PHENYL SULFIDE
LogP	2.9 at 25℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
preparation method	add 254G (14.1 mo1) to a lL four-necked flask with stirrer, thermometer, vent and sodium nitrite water, 35% g of concentrated hydrochloric acid, 65.1g of aniline (0.7 mol), to prepare an aniline hydrochloride aqueous solution. Diazotization was carried out by adding 48.3g(0.7 mol) of sodium nitrite to a solution prepared by dissolving it in 1.00g of water at a temperature of 5 ° C. Or less for about 25min. On the other hand, in a pressure-resistant vessel, a sodium methoxide solution was prepared using 8.9g (29.3 mo1) of water, 0.7g (33.6 mol) of solid sodium hydroxide and 0.7g (mo1) of methyl mercaptan, the prepared solution was placed in a 1L four-necked flask for standby use. After completion of diazotization, the nitrided aqueous solution was dropped into sodium methoxide immediately at 30 ° C. For about 1.00 min. As soon as the phenomenon of Nitrogen Generation was terminated, 1.00 ml of benzene was added to the reaction solution, and the benzene layer was separated, dried over 8g of sodium sulfate, and distilled under normal pressure to remove benzene. About 74g of the product was collected by distillation under reduced pressure.
recommended dosage	methyl phenyl disulfide is allowed to be used as food flavor in GB2076-2011, which can be used to prepare mint, cherry flavor. The usage limits of FEMA(mg/kg) were as follows: baked product 0.06~1.0; Non-alcohol beverage 0.2~2.0; Fat 0.01~0.04; Gelatin, pudding, sauce 0.1~1.0; spices 0.5~1.0; Meat products 0.4~4.0.
toxicity	GRAS(FEMA).
usage limit	FEMA(mg/kg): baked products 0.06~1.0; Non-alcoholic beverages 0.2~2.0; oil 0.01~0.04; Gelatin, pudding, sauce, 0.1~1.0; Meat products 0.4~4.0; Spices 0.5~1.0.
Application	It is an important raw material for photoinitiator UV-907. highly efficient promoter for acid-catalyzed cleavage of N-Z, O-benzyl and O-methyl protecting groups. used as pesticide, medicine, dye intermediate
production method	1. Using thiophenol and dimethyl sulfate as raw materials, under alkaline conditions, the esterification reaction was carried out. 2. The diazonium salt is prepared by diazotization of aniline by aniline method, and then reacted with sodium methyl mercaptan. The last step reaction formula is as follows: