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2-methyl benzothiophene

Chemical Structure

General Material Information

Preferred name 2-methyl benzothiophene
Trivial Name 2-Methylbenzothiophene
Short Description benzo[b]thiophene, 2-methyl-
Formula C9 H8 S
CAS Number 1195-14-8
ECHA Number 214-792-2
FDA UNII Search
Nikkaji Number J203.464F
MDL MFCD00216250
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • benzo[b]thiophene, 2-methyl-
  • 2-methyl benzo(b)thiophene
  • 2-methyl-1-benzothiophene
  • 2-methyl-1-thiaindene
  • 2-methylbenzo(b)thiophene
  • 2-methylbenzothiophene
  • 2-Methylbenzo[b]thiophene
  • 2-Methylbenzothiophene
  • 2-Methyl-1-benzothiophene
  • 2-Methylthianaphthene
  • NSC 18869

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

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Literature & References

2-methyl-1-benzothiophene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):70952
Pubchem (sid):135026432
Publications by US Patents
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines

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:2934.99.4400
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.22775268555
Boiling Point 242 to 243°C @ 760 mm Hg
Vapor Pressure 0.1 mmHg @ 25 °C
Flash Point TCC Value 72.4 °C TCC
logP (o/w) 3.71
Solubility
alcohol Yes
water, 52.42 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Solvent
solvent, phenolic
General comment Solvent phenolic

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 2-methyl benzothiophene usage levels up to:
not for fragrance use.
Recommendation for 2-methyl benzothiophene flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :70952
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methyl-1-benzothiophene
Chemidplus:0001195148