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3-pentyl thiophene
thiophene, 3-pentyl-

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Name:3-pentylthiophene
CAS Number: 102871-31-8Picture of molecule3D/inchi
FDA UNII: 615FDD13VG
Nikkaji Web:J261.086H
MDL:MFCD00143182
XlogP3:4.40 (est)
Molecular Weight:154.27558000
Formula:C9 H14 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94500 to 0.95000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.873 to 7.914
Refractive Index:1.49700 to 1.50000 @ 20.00 °C.
Boiling Point: 204.00 to 205.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 200.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.361000 mmHg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.60 °C. ) (est)
logP (o/w): 4.482 (est)
Soluble in:
 alcohol
 water, 14.71 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Pentylthiophene
TCI AMERICA
For experimental / research use only.
3-Pentylthiophene >95.0%(GC)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
flavoring agents
Recommendation for 3-pentyl thiophene usage levels up to:
 not for fragrance 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 :15345429
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-pentylthiophene
Chemidplus:0102871318
 
References:
 3-pentylthiophene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15345429
Pubchem (sid):128921453
 
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:2934.99.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-pentylthiophene
 thiophene, 3-pentyl-
 
 
Notes:
None found
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