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7217-59-6

7217-59-6 Structure

7217-59-6 Structure
IdentificationMore
[Name]

2-METHOXYBENZENETHIOL
[CAS]

7217-59-6
[Synonyms]

2-MERCAPTOANISOLE
2-METHOXYBENZENETHIOL
2-METHOXYTHIOPHENOL
O-METHOXYBENZENETHIOL
O-METHOXYTHIOPHENOL
2-methoxy-benzenethio
Benzenethiol, o-methoxy-
o-methoxy-benzenethio
Thioguaiacol
2-Mercaptoanisole~2-Methoxybenzenethiol
2-METHOXYTHIOPHENOL 97+%
Benzenethiol, 2-methoxy-
2-Methoxythiophenol 98%
2-METHOXYTHIOPHENOL
2-METHOXYBENZENETHIOL
2-METHOXYTHIOPHENOL/2-MERCAPTOANISOLE
2-Mercaptoanisole, 2-Methoxybenzenethiol, Thioguaiacol
2-Methoxybenzene-1-thiol
Thiocatechol O-methyl ether
[EINECS(EC#)]

230-605-7
[Molecular Formula]

C7H8OS
[MDL Number]

MFCD00004834
[Molecular Weight]

140.2
[MOL File]

7217-59-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

306.7-313.7 °C (decomp)
[Boiling point ]

99 °C/8 mmHg (lit.)
[density ]

1.152 g/mL at 25 °C(lit.)
[FEMA ]

4159
[refractive index ]

n20/D 1.591(lit.)
[Fp ]

204 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

H2O: insoluble
[form ]

Liquid
[pka]

6.62±0.43(Predicted)
[color ]

Clear yellow
[Specific Gravity]

1.152
[Odor]

at 1.00 % in propylene glycol. meaty smoked sausage powdery sweet spicy phenolic sulfurous
[biological source]

synthetic
[Odor Type]

meaty
[Water Solubility ]

H2O: insoluble
alcohol: soluble
[Sensitive ]

Stench
[Detection Methods]

HPLC
[JECFA Number]

1666
[BRN ]

2042178
[Stability:]

Moisture Sensitive
[Major Application]

flavors and fragrances
[InChI]

1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
[InChIKey]

DSCJETUEDFKYGN-UHFFFAOYSA-N
[SMILES]

COc1ccccc1S
[LogP]

204.00 °F. TCC
[CAS DataBase Reference]

7217-59-6(CAS DataBase Reference)
[Storage Precautions]

Air sensitive
[EPA Substance Registry System]

Benzenethiol, 2-methoxy- (7217-59-6)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3334
[WGK Germany ]

3
[RTECS ]

DC1790000
[F ]

10-13-23
[Hazard Note ]

Harmful/Stench
[TSCA ]

T
[HazardClass ]

IRRITANT, STENCH
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Sulfuric acid-->Acetic acid-->Sodium nitrite-->Potassium hydroxide-->Hydrogen bromide-->Sodium sulfite-->ZINC-->Fluoroboric acid-->o-Anisidine-->Potassium ethylxanthate
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Chemical Properties]

Colorless to yellowish liquid; pungent, onion aroma.
[Occurrence]

Reported found in coffee.
[Uses]

2-Methoxythiophenol was used in the synthesis of:
  • (4S)-N-[(2S)-2-methy-3-(2-methoxyphenylthio)propanoyl]-4-phenyloxazolidin-2-one
  • 2-(4-fluorophenyl)-6-(2-methoxyphenylsulfanyl)imidazo[1,2-a]pyridine
  • 2-(2-methoxyphenylsulfanyl)benzoic acid
[Uses]

2-Methoxythiophenol is used in the synthesis of berberine-thiophenyl hybrids as multifunctional agents. Inhibition of acetylcholinesterase, butyrylcholinesterase and AB aggregation antioxidant activity.
[Definition]

ChEBI: 2-Methoxybenzenethiol is a thiol.
[Aroma threshold values]

Meaty type, very high strength odor, recommend smelling in a 0.10% solution or less.
[Taste threshold values]

Meaty sausage taste at 1 ppm in water.
[General Description]

2-Methoxythiophenol is a sulfur-containing compound that can be used as a flavoring agent.
[Synthesis]

2-Methoxybenzenethiol is prepared:
1) from or(ho-Aminophenol-methylether via Diazoreaction.
2) from Sodium phenoxide plus Sulfur at 200° C. to yield 2: 2'-Dihydroxy-diphenyldisulfide. Reduction and Methylation afford the title ether.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHOXYBENZENETHIOL(7217-59-6)MS
2-METHOXYBENZENETHIOL(7217-59-6)1HNMR
2-METHOXYBENZENETHIOL(7217-59-6)13CNMR
2-METHOXYBENZENETHIOL(7217-59-6)IR1
2-METHOXYBENZENETHIOL(7217-59-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methoxybenzenethiol, 97%(7217-59-6)
[Alfa Aesar]

2-Methoxythiophenol, 97%(7217-59-6)
[Sigma Aldrich]

7217-59-6(sigmaaldrich)
[TCI AMERICA]

2-Methoxybenzenethiol,>98.0%(GC)(7217-59-6)
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