ortho-xylene
benzene, 1,2-dimethyl-
 
Notes:
None found
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      Product(s):
      X0012 o-Xylene >98.0%(GC)
       
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CAS Number: 95-47-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-422-2
FDA UNII: Z2474E14QP
Nikkaji Web: J3.563G
Beilstein Number: 1815558
MDL: MFCD00008519
XlogP3: 3.10 (est)
Molecular Weight: 106.16770000
Formula: C8 H10
BioActivity Summary: listing
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: 0.87900 to 0.88300 @  20.00 °C.
Pounds per Gallon - (est).: 7.323 to  7.356
Refractive Index: 1.50300 to 1.50600 @  20.00 °C.
Boiling Point: 143.00 to  145.00 °C. @ 760.00 mm Hg
Boiling Point: 64.00 to  65.00 °C. @ 50.00 mm Hg
Vapor Pressure: 5.990000 mmHg @ 25.00 °C. (est)
Flash Point: 90.00 °F. TCC ( 32.22 °C. )
logP (o/w): 3.120
Soluble in:
 alcohol
 water, 178 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
geranium
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chevron Phillips
Orthoxylene 99%
EMD Millipore
For experimental / research use only.
o-Xylene
Santa Cruz Biotechnology
For experimental / research use only.
o-Xylene
Sigma-Aldrich
For experimental / research use only.
o-Xylene reagent grade, ≥98.0%
TCI AMERICA
For experimental / research use only.
o-Xylene >98.0%(GC)
Wedor Corporation
XYLENE
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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:
intraperitoneal-mouse LD50  1550 ul/kg
Archives of Toxicology. Vol. 58, Pg. 106, 1985.

intraperitoneal-mammal (species unspecified) LDLo  1500 mg/kg
Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.

oral-rat LDLo  5000 mg/kg
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.

Dermal Toxicity:
subcutaneous-mammal (species unspecified) LDLo 2500 mg/kg
Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.

Inhalation Toxicity:
inhalation-human LCLo 6125 ppm/12H
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.

inhalation-mouse LCLo 30000 mg/m3
BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929.

inhalation-rat LCLo 6125 ppm/12H
Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.

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Safety in Use Information:
Category: natural substances and extractives
Recommendation for ortho-xylene usage levels up to:
 not for fragrance use.
 
Recommendation for ortho-xylene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA GENetic TOXicology: Search
EPA Substance Registry Services (TSCA): 95-47-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7237
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1307
WGK Germany: 2
 1,2-xylene
Chemidplus: 0000095476
EPA/NOAA CAMEO: hazardous materials
RTECS: 95-47-6
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References:
 1,2-xylene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 95-47-6
Pubchem (cid): 7237
Pubchem (sid): 134971877
Flavornet: 95-47-6
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
CHEMBL: View
Metabolomics Database: Search
UM BBD: Search
KEGG (GenomeNet): C07212
HMDB (The Human Metabolome Database): HMDB59851
FooDB: FDB005819
Export Tariff Code: 2902.41.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
Formulations/Preparations:
grade: 99%, free of hydrogen sulfide and sulfur dioxide; technical 95%; research 99.9%
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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
 papaya fruit
Search Trop  Picture
 walnut black walnut fruit
Search Trop  Picture
 walnut black walnut nut
Search Trop  Picture
 walnut black walnut oil
Search Trop  Picture
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Synonyms:
 benzene, 1,2-dimethyl-
 benzene, o-dimethyl-
1,2-dimethyl benzene
o-dimethyl benzene
ortho-dimethyl benzene
1,2-dimethylbenzene
o-dimethylbenzene
ortho-dimethylbenzene
1,2-dimethylbenzol
o-methyltoluene
1,2-xylene
o-xylene
 xylene, o-
o-xylol
ortho-xylol
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Articles:
PubMed: Model studies of migration from paper and board into fruit and vegetables and into Tenax as a food simulant.
PubMed: [Analysis of odor pollutants in kitchen waste composting].
PubMed: Analysis of volatile organic compounds released during food decaying processes.
PubMed: Authentication of fattening diet of Iberian pigs according to their volatile compounds profile from raw subcutaneous fat.
PubMed: Synthesis and characterization of hydrophobic zeolite for the treatment of hydrocarbon contaminated ground water.
PubMed: Factors controlling alkylbenzene and tetrachloroethene desorption from municipal solid waste components.
PubMed: [Biological monitoring of exposure to benzene, toluene and xylenes in urban traffic wardens by LC-MS analysis].
PubMed: Migration of organic compounds from a multilayer plastic-paper material intended for food packaging.
PubMed: Influence of sodium benzoate on the metabolism of o-xylene in the rat.
PubMed: Developmental toxicities of ethylbenzene, ortho-, meta-, para-xylene and technical xylene in rats following inhalation exposure.
PubMed: Enhanced in vivo IgE production and T cell polarization toward the type 2 phenotype in association with indoor exposure to VOC: results of the LARS study.
PubMed: Factors controlling alkylbenzene sorption to municipal solid waste.
PubMed: An assessment of the data quality for NHEXAS--Part I: Exposure to metals and volatile organic chemicals in Region 5.
PubMed: Metabolism of tetralin (1,2,3,4-tetrahydronaphthalene) in Corynebacterium sp. strain C125.
PubMed: Changes induced by O-xylene inhalations in the rat liver.
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