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3,4-dimethyl benzoic acid
benzoic acid, 3,4-dimethyl-

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Name:3,4-dimethylbenzoic acid
CAS Number: 619-04-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-576-7
FDA UNII: Z2TCZ088AV
Nikkaji Web:J83.362B
Beilstein Number:0907267
MDL:MFCD00002524
XlogP3:2.70 (est)
Molecular Weight:150.17710000
Formula:C9 H10 O2
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
Google Books:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 220.7 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,4-Dimethylbenzoic acid 95%
EMD Millipore
For experimental / research use only.
3,4-Dimethylbenzoic Acid
Santa Cruz Biotechnology
For experimental / research use only.
3,4-Dimethylbenzoic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,4-Dimethylbenzoic Acid 98%
TCI AMERICA
For experimental / research use only.
3,4-Dimethylbenzoic Acid >99.0%(T)
 
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 3,4-dimethyl benzoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 3,4-dimethyl benzoic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):619-04-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12073
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,4-dimethylbenzoic acid
Chemidplus:0000619045
RTECS:DG8734020 for cas# 619-04-5
 
References:
 3,4-dimethylbenzoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12073
Pubchem (cas):619-04-5
 
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
HMDB (The Human Metabolome Database):HMDB02237
FooDB:FDB008869
Export Tariff Code:2916.39.7900
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 eryngium foetidum
Search Trop Picture
 
Synonyms:
 benzoic acid, 3,4-dimethyl-
3,4-dimethylbenzoic acid
o-xylene-4-carboxylic acid
 

Articles:

PubMed:Repression of Salmonella host cell invasion by aromatic small molecules from the human fecal metabolome.
PubMed:New constituents from the heartwood of Picea morrisonicola HAYATA.
PubMed:Use of the two-liquid phase concept to exploit kinetically controlled multistep biocatalysis.
PubMed:An improved synthesis of 5,6-dimethylxanthenone-4-acetic acid (DMXAA).
PubMed:Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats.
PubMed:Initial steps in the degradation of 3,4-dimethylbenzoic acid by Pseudomonas putida strain DMB.
 
Notes:
Isol. from Eryngium foetidum (culantro) Trimethylobenzene is metabolized mainly to dimethylbenzoic (DMBA) acid. Trimethylobenzene (TMB) is a common ingredient of many organic solvents used in industry. DMBA and dimethylhippuric (DMHA) acids, excreted in urine can be used as biological indicators of exposure to TMB. (PMID: 8170375 )
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