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3,4-dimethyl thiophenol

Chemical Structure

General Material Information

Preferred name 3,4-dimethyl thiophenol
Trivial Name 3,4-Dimethylbenzenethiol
Short Description benzenethiol, 3,4-dimethyl-
Formula C8 H10 S
CAS Number 18800-53-8
ECHA Number 242-587-8
FDA UNII L4F41SS351
Nikkaji Number J155.604E
MDL MFCD00010023
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • benzenethiol, 3,4-dimethyl-
  • 3,4-dimethyl benzene thiol
  • 3,4-dimethylbenzenethiol
  • 3,4-dimethylthiophenol
  • 3-methyl-4-(methylthio)phenol
  • 3,4-Xylenethiol
  • 3,4-Dimethylbenzenethiol
  • 3,4-Dimethylthiophenol
  • 3,4-Dimethylbenzene-1-thiol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

3,4-dimethylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):87799
Pubchem (sid):135044512
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agent

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.2900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 138.2326965332
Specific gravity @ 20 °C
Pounds per Gallon 8.622 to 8.647
Refractive Index 1.573 to 1.576 @ 20 °C
Boiling Point 222 to 223°C @ 760 mm Hg
Vapor Pressure 0.154 mmHg @ 25 °C
Flash Point TCC Value 90 °C TCC
logP (o/w) 3.328 est
Solubility
alcohol Yes
water, 50.36 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Burnt
burnt

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 3,4-dimethyl thiophenol usage levels up to:
not for fragrance use.
Recommendation for 3,4-dimethyl thiophenol flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):18800-53-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :87799
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,4-dimethylbenzenethiol
Chemidplus:0018800538