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

2,3-xylenol
phenol, 2,3-dimethyl-

Supplier Sponsors

CAS Number: 526-75-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-395-3
FDA UNII:RLF9YS3586
Nikkaji Web:J6.663J
Beilstein Number:1906267
MDL:MFCD00002227
CoE Number:11258
XlogP3:2.60 (est)
Molecular Weight:122.16690000
Formula:C8 H10 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:04.065 (Old)
DG SANTE Food Flavourings:04.065 2,3-dimethylphenol
 
Physical Properties:
Appearance:colorless solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 72.00 to 76.00 °C. @ 760.00 mm Hg
Boiling Point: 216.00 to 218.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.093000 mm/Hg @ 25.00 °C. (est)
Vapor Density:4.23 ( Air = 1 )
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.480
Soluble in:
 alcohol
 water, 2855 mg/L @ 25 °C (est)
 water, 4570 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: phenolic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
phenolic chemical musty
Odor Description:at 10.00 % in dipropylene glycol. phenolic chemical musty
Flavor Type: phenolic
phenolic
Taste Description: cresolic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Kingchem Laboratories
2,3 DIMETHYLPHENOL
Penta International
2,3-DIMETHYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2,3-Dimethylphenol >98.0%(GC)
Santa Cruz Biotechnology
For experimental / research use only.
2,3-Dimethylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,3-Dimethylphenol 99%
TCI AMERICA
For experimental / research use only.
2,3-Dimethylphenol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T N - Toxic, Dangerous for the environment.
R 24/25 - Toxic in contact with skin and if swallowed.
R 34 - Causes burns.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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:
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00158

oral-rat LD50 < 5000 mg/kg
(De Cresente, 1982)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC > 85500 ug/m3/4
National Technical Information Service. Vol. AD-A180-198

 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2,3-xylenol usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.013 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):526-75-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10687
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2261
WGK Germany:3
2,3-dimethylphenol
Chemidplus:0000526750
EPA/NOAA CAMEO:hazardous materials
RTECS:ZE5500000 for cas# 526-75-0
 
References:
 2,3-dimethylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:526-75-0
Pubchem (cid):10687
Pubchem (sid):134978402
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32148
FooDB:FDB008876
Export Tariff Code:2907.19.8000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
pitt-consol xylenol 410 is a synthetic xylenol blend homolog distribution, wt %: 2,6-xylenol, 1; 2,4-xylenol, 42; 2,5-xylenol, 43; 2,3-xylenol group, 14. xylenol 410
 
Potential Blenders and core components note
For Odor
phenolic
4-
vinyl phenol
FL/FR
For Flavor
burnt
furfuryl alcohol
FL
phenolic
4-
vinyl phenol
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beer - 2.1 mg/kg
Search PMC Picture
 coffee
Search PMC Picture
 lettuce lamb's lettuce
Search Trop Picture
 
Synonyms:
2,3-dimethyl phenol
2,3-dimethyl-phenol
2,3-dimethylphenol
1-hydroxy-2,3-dimethyl benzene
1-hydroxy-2,3-dimethylbenzene
3-hydroxyl-o-xylene
 phenol, 2,3-dimethyl-
 

Articles:

US Patents:3,946,080 - Flavouring and perfuming ingredients
PubMed:Nanocage structure derived from sulfonated β-cyclodextrin intercalated layered double hydroxides and selective adsorption for phenol compounds.
US Patents:3,952,024 - Furfurylthioacetone
PubMed:Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation.
PubMed:Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.
PubMed:A novel 2,3-xylenol-utilizing Pseudomonas isolate capable of degrading multiple phenolic compounds.
PubMed:Determination of phenolic compounds in wastewater by liquid-phase microextraction coupled with gas chromatography.
PubMed:Protein engineering of toluene-o-xylene monooxygenase from Pseudomonas stutzeri OX1 for enhanced chlorinated ethene degradation and o-xylene oxidation.
PubMed:Vibrational analysis of substituted phenols: part II. Transferability of valence force constants.
PubMed:Characterization of Rhodococcus opacus R7, a strain able to degrade naphthalene and o-xylene isolated from a polycyclic aromatic hydrocarbon-contaminated soil.
PubMed:Procedure for the quantification of rider peaks.
PubMed:Isolation and characterization of a thermotolerant bacterium Ralstonia sp. strain PHS1 that degrades benzene, toluene, ethylbenzene, and o-xylene.
PubMed:Determination of Henry's law constants of phenols by pervaporation-flow injection analysis.
PubMed:Evaluation of Smoky Taste in Cocoa Powder.
PubMed:Cloning of the genes for and characterization of the early stages of toluene and o-xylene catabolism in Pseudomonas stutzeri OX1.
PubMed:Isolation of a Pseudomonas stutzeri strain that degrades o-xylene.
PubMed:Alkylphenols in the defensive secretion of the nearctic opilionid,Stygnomma spinifera (Arachnida: Opiliones).
 
Notes:
Constit. of Valerianella locusta (corn salad)
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