butyl benzene
1-phenylbutane
 
Notes:
None found
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CAS Number: 104-51-8Picture of molecule3D/inchi
Other(deleted CASRN): 74296-32-5
ECHA EINECS - REACH Pre-Reg: 203-209-7
FDA UNII: S8XZ2901RZ
Nikkaji Web: J5.032F
Beilstein Number: 1903395
XlogP3: 4.40 (est)
Molecular Weight: 134.22158000
Formula: C10 H14
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86000 @  25.00 °C.
Refractive Index: 1.48900 @  20.00 °C.
Flash Point: 139.00 °F. TCC ( 59.44 °C. )
Soluble in:
 water, 11.8 mg/L @ 25 °C (exp)
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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:
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butylbenzene ≥99%
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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: natural substances and extractives
Recommendation for butyl benzene usage levels up to:
 not for fragrance use.
 
Recommendation for butyl benzene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 104-51-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7705
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 butylbenzene
Chemidplus: 0000104518
EPA/NOAA CAMEO: hazardous materials
RTECS: CY9070000 for cas# 104-51-8
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References:
 butylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-51-8
Pubchem (cid): 7705
Pubchem (cas): 104-51-8
Pherobase: View
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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
CHEBI: View
KEGG (GenomeNet): C18150
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2902.90.3050
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
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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
 ficus beccarii
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 ficus condensa
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 ficus obscura
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 osmanthus fragrans flower absolute @ trace%
Data  GC  Search Trop  Picture
 strawberry fruit 18.96%
Search Trop  Picture
 tanacetum parthenium flower oil @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
 benzene, butyl-
 butylbenzene
n-butylbenzene
1-phenyl butane
1-phenylbutane
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Articles:
Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
PubMed: Preparation of organic-silica hybrid monolithic columns via crosslinking of functionalized mesoporous carbon nanoparticles for capillary liquid chromatography.
PubMed: Occurrence of 13 volatile organic compounds in foods from the Canadian total diet study.
PubMed: Influence of oxygen and long term storage on the profile of volatile compounds released from polymeric multilayer food contact materials sterilized by gamma irradiation.
PubMed: Multiple headspace-solid-phase microextraction as a powerful tool for the quantitative determination of volatile radiolysis products in a multilayer food packaging material sterilized with γ-radiation.
PubMed: Biological characterization of a heterodimer-selective retinoid X receptor modulator: potential benefits for the treatment of type 2 diabetes.
PubMed: Analyses of volatile transformation products from additives in gamma-irradiated polyethylene packaging.
PubMed: Musk xylene: analysis, occurrence, kinetics, and toxicology.
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