2-tert-butyl benzene thiol
benzenethiol, 2-(1,1-dimethylethyl)-
 
Notes:
None found
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CAS Number: 19728-41-7Picture of molecule3D/inchi
Nikkaji Web: J364.497I
MDL: MFCD00041503
XlogP3: 3.80 (est)
Molecular Weight: 166.28658000
Formula: C10 H14 S
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 229.07 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.107000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 95.90 °C. ) (est)
logP (o/w): 4.208 (est)
Soluble in:
 alcohol
 water, 7.624 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
2-tert-Butyl thiophenol
Santa Cruz Biotechnology
For experimental / research use only.
2-(tert-Butyl)benzenethiol
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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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 2-tert-butyl benzene thiol usage levels up to:
 not for fragrance use.
 
Recommendation for 2-tert-butyl benzene thiol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 2795032
National Institute of Allergy and Infectious Diseases: Data
 2-tert-butylbenzenethiol
Chemidplus: 0053584228
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References:
 2-tert-butylbenzenethiol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 2795032
Pubchem (sid): 135361239
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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
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzenethiol, 2-(1,1-dimethylethyl)-
2-tert-butylbenzenethiol
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Articles:
PubMed: Thiol ligand-induced transformation of Au38(SC2H4Ph)24 to Au36(SPh-t-Bu)24.
PubMed: Tetrapalladium complex with bridging germylene ligands. Structural change of the planar Pd4Ge3 core.
PubMed: Reversible photoswitchable wettability in noncovalently assembled multilayered films.
PubMed: Coordination chemistry of dinucleating P2N2S ligands: preparation and characterization of cationic palladium complexes.
PubMed: Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.
PubMed: Metabolism of tert-butylhydroquinone to S-substituted conjugates in the male Fischer 344 rat.
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