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1,2,3,5-tetramethyl benzene
benzene, 1,2,3,5-tetramethyl-

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Name:1,2,3,5-tetramethylbenzene
CAS Number: 527-53-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-417-1
FDA UNII: 0JBI5Y5A5Z
Nikkaji Web:J6.670B
Beilstein Number:1904391
MDL:MFCD00008524
XlogP3-AA:4.00 (est)
Molecular Weight:134.22158000
Formula:C10 H14
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: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:0.89100 @ 25.00 °C.
Boiling Point: 198.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.498000 mmHg @ 25.00 °C.
Flash Point: 146.00 °F. TCC ( 63.33 °C. )
logP (o/w): 4.100
Soluble in:
 water, 27.88 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,2,3,5-Tetramethylbenzene 80%
TCI AMERICA
For experimental / research use only.
1,2,3,5-Tetramethylbenzene >70.0%(GC)
 
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:
natural substances and extractives
Recommendation for 1,2,3,5-tetramethyl benzene usage levels up to:
 not for fragrance use.
 
Recommendation for 1,2,3,5-tetramethyl benzene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):527-53-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10695
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1,2,3,5-tetramethylbenzene
Chemidplus:0000527537
EPA/NOAA CAMEO:hazardous materials
RTECS:DC0475000 for cas# 527-53-7
 
References:
 1,2,3,5-tetramethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:527-53-7
Pubchem (cid):10695
Pubchem (sid):134978602
Pherobase:View
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2902.90.3050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 benzene, 1,2,3,5-tetramethyl-
isodurene
1,2,3,5-tetramethylbenzene
 

Articles:

PubMed:Analysis of polycyclic aromatic hydrocarbons using desorption atmospheric pressure chemical ionization coupled to a portable mass spectrometer.
PubMed:Transition from charge-transfer to largely locally excited exciplexes, from structureless to vibrationally structured emissions.
PubMed:The impact of weak C-H...Rh interactions on the structure and reactivity of trans-[Rh(CO)2(phosphine)2]+: an experimental and theoretical examination.
PubMed:Solvent and spectral effects in the ultrafast charge recombination dynamics of excited donor-acceptor complexes.
PubMed:Solvent-dependent interconversions between Rh(I), Rh(II), and Rh(III) complexes of an aryl-monophosphine ligand.
PubMed:Role of intermolecular coupling in the photophysics of disordered organic semiconductors: aggregate emission in regioregular polythiophene.
PubMed:Physiologically-based toxicokinetic modeling of durene (1,2,3,5-tetramethylbenzene) and isodurene (1,2,4,5-tetramethylbenzene) in humans.
PubMed:Adsorption of single-ring organic compounds to wood charcoals prepared under different thermochemical conditions.
PubMed:Theoretical study of the methylbenzene side-chain hydrocarbon pool mechanism in methanol to olefin catalysis.
PubMed:Sonochemical preparation of supported hydrodesulfurization catalysts.
PubMed:A molecular and carbon isotopic study towards the origin and diagenetic fate of diaromatic carotenoids.
PubMed:Acute toxicity of tetramethylbenzenes: durene, isodurene and prehnitene.
 
Notes:
None found
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