benzothiophene
benzo(b)thiophene
Identification
| Name | benzothiophene |
| CAS Number | 95-15-8 |
| EINECS | 202-395-7 |
| FDA UNII | 073790YQ2G |
| Molecular Formula | C8 H6 S |
| Molecular Weight | 134.20082000 |
| MDL Number | MFCD00005864 |
| Nikkaji Number | J4.710D |
| Beilstein | 080580 |
| XlogP3 | 3.10 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.14900 @ 25.00 °C. |
| Melting Point | 28.00 to 32.00 °C. @ 760.00 mm Hg |
| Boiling Point | 221.00 to 222.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.163000 mmHg @ 25.00 °C. (est) |
| Flash Point | 144.00 °F. TCC ( 62.00 °C. ) (est) |
| logP (o/w) | 3.120 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Taste Description | solvent rubbery earthy |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for benzothiophene usage levels up to | not for fragrance use. |
| Recommendation for benzothiophene flavor usage levels up to | not for flavor use. |
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Robinson Brothers Limited
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Potential Uses
Natural Occurrence
Synonyms
benzo(b)thiophene
1-
benzothiophene
thianaphthene
US Patents:
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:
Derivatizing Tribenzothiophene-Fused Hexa-peri-hexabenzocoronenes with Tunable Optoelectronic Properties.
PubMed:
Gas chromatography combined with mass spectrometry for the identification of organic sulfur compounds in shellfish and fish.