EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hemimellitene
benzene, 1,2,3-trimethyl-

Supplier Sponsors

Name:1,2,3-trimethylbenzene
CAS Number: 526-73-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-394-8
FDA UNII:ZK4R7UPH6R
Nikkaji Web:J1.582B
Beilstein Number:1903410
MDL:MFCD00008520
XlogP3:3.60 (est)
Molecular Weight:120.19464000
Formula:C9 H12
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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89200 to 0.90400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.431 to 7.531
Refractive Index:1.51100 to 1.51800 @ 20.00 °C.
Melting Point: -25.00 °C. @ 760.00 mm Hg
Boiling Point: 175.00 to 177.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.447000 mm/Hg @ 25.00 °C. (est)
Flash Point: 119.00 °F. TCC ( 48.33 °C. )
logP (o/w): 3.660
Soluble in:
 alcohol
 water, 75.2 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
1,2,3-Trimethylbenzene
Sigma-Aldrich
For experimental / research use only.
1,2,3-Trimethylbenzene
analytical standard
TCI AMERICA
For experimental / research use only.
1,2,3-Trimethylbenzene >80.0%(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:
oral-rat LDLo 10 mL/kg
LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for hemimellitene usage levels up to:
 not for fragrance use.
 
Recommendation for hemimellitene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):526-73-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10686
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,2,3-trimethylbenzene
Chemidplus:0000526738
RTECS:526-73-8
 
References:
 1,2,3-trimethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:526-73-8
Pubchem (cid):10686
Pubchem (sid):134978401
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
KEGG (GenomeNet):C14518
HMDB (The Human Metabolome Database):HMDB59901
FooDB:FDB005814
Export Tariff Code:2902.90.3050
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
hemimellitene is a mixture of the 1,2,3-isomer with up to 10% of related aromatics such as the 1,2,4-isomer
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 carrot leaf oil (daucus carota ssp.maximus) @ 0.56%
Data GC Search Trop Picture
 corn silk
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 dianthus sylvestris
Search Trop Picture
 plum fruit
Search Trop Picture
 plumcot fruit
Search PMC Picture
 silene vulgaris
Search Trop Picture
 walnut black walnut oil
Search Trop Picture
 
Synonyms:
 benzene, 1,2,3-trimethyl-
 hemellitol
 hemimellitol
 methyl xylene
1,2,3-trimethyl benzene
1,2,3-trimethyl-benzene
1,2,3-trimethylbenzene
 xyellenol 100
o-3-xylenol
 

Articles:

PubMed:Antimicrobial Potential and Chemical Characterization of Serbian Liverwort (Porella arboris-vitae): SEM and TEM Observations.
PubMed:Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil.
PubMed:Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil.
PubMed:Contrasting effects of 4-week inhalation exposure to pseudocumene or hemimellitene on sensitivity to amphetamine and propensity to amphetamine sensitization in the rat.
PubMed:Assessment of long-term neurotoxic effects of exposure to mesitylene (1,3,5-trimethylbenzene) based on the analysis of selected behavioral responses.
PubMed:Effects of occupational exposure to a mixture of solvents on the inner ear: a field study.
PubMed:[Specific nature of the software used to construct simulations: physiologically-based toxicokinetic models].
PubMed:Behavioral effects following subacute inhalation exposure to m-xylene or trimethylbenzene in the rat: a comparative study.
PubMed:Subchronic inhalation toxicity of 1,2,3-trimethylbenzene (hemimellitene) in rats.
PubMed:Changes in electrocortical arousal following acute trimethylbenzene administration in rats.
PubMed:Effects of acute exposure to aromatic hydrocarbons C 9 on locomotor activity in rats. Trimethylbenzene isomers.
PubMed:Identification of the dimethylbenzyl mercapturic acid in urine of rats treated with 1,2,3-trimethylbenzene.
PubMed:Neurotoxicity assessment of selected organic solvents based on spontaneous and evoked cortical and hippocampal activity in rats.
PubMed:Behavioural changes following a four-week inhalation exposure to hemimellitene (1,2,3-trimethylbenzene) in rats.
PubMed:Genotoxicity evaluation of trimethylbenzenes.
PubMed:Biological monitoring of experimental human exposure to trimethylbenzene.
PubMed:Respiratory irritative effects of trimethylbenzenes: an experimental animal study.
PubMed:Toxicokinetics of inhaled trimethylbenzenes in man.
PubMed:Neurotoxic effects of acute and subchronic inhalation exposure to trimethylbenzene isomers (pseudocumene, mesitylene, hemimellitene) in rats.
PubMed:[Determination of dimethylbenzoic acid isomers in urine by gas chromatography].
PubMed:Application of gas chromatography in conjunction with enrichment of samples on active carbon to determine low concentrations of organic compounds in air. Part I. Aromatic hydrocarbons.
PubMed:Kinetics of solvents release from paint coatings. I. Paint coating hardened at +20 degrees C temperature.
 
Notes:
None found
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