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 |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
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 |
(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 |
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 |
Flavor Type: Solvent | |
solvent, phenolic | |
General comment | Solvent phenolic |
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 |
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. |
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 |