Introduction：Basic information about CAS 93-40-3|3,4-Dimethoxyphenylacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,4-Dimethoxyphenylacetic acid is a building block in the chemical synthesis.
Related Catalog
Natural Products >>Acids and AldehydesResearch Areas >>Others
Target
Human Endogenous Metabolite
References
[1]. Frederick A, et al. Occurrence of 3,4-Dimethoxyphenylacetic Acid in Urines of Normal and Schizophrenic Individuals. Nature volume211, pages606–608 (06 August 1966)
Chemical & Physical Properties
Density
1.2±0.1 g/cm3
Boiling Point
331.4±27.0 °C at 760 mmHg
Melting Point
96-98 °C(lit.)
Molecular Formula
C10H12O4
Molecular Weight
196.200
Flash Point
130.2±17.2 °C
Exact Mass
196.073563
PSA
55.76000
LogP
1.24
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.527
InChIKey
WUAXWQRULBZETB-UHFFFAOYSA-N
SMILES
COc1ccc(CC(=O)O)cc1OC
Water Solubility
SOLUBLE
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
AH0675000
CHEMICAL NAME :
Acetic acid, (3,4-dimethoxyphenyl)-
CAS REGISTRY NUMBER :
93-40-3
BEILSTEIN REFERENCE NO. :
1110282
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-O4
MOLECULAR WEIGHT :
196.22
WISWESSER LINE NOTATION :
QV1R CO1 DO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
MUTATION DATA
TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
1 mmol/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 29,1275,1980
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Articles5
More Articles
A metabolite profiling approach to identify biomarkers of flavonoid intake in humans.
J. Nucl. Med. 139 , 2309-14, (2009)
Flavonoids are phytochemicals that are widespread in the human diet. Despite limitations in their bioavailability, experimental and epidemiological data suggest health benefits of flavonoid consumptio...
[ON THE EFFECT OF NIKETHAMIDE AND HOMOVERATRIC ACID DIMETHYLAMIDE ON RESPIRATION IN INFANTS].
Monatsschr. Kinderheilkd. 113 , 341-3, (1965)
Quantitative investigation on the urinary excretion and metabolism of 3,4-dimethoxyphenylethylamine in schizophrenics and normal individuals.
Biol. Psychiatry 17(1) , 49-59, (1982)
A quantitative method for the detection of DMPEA in urine was developed. It is based on the fluorometric determination of DMPEA in the form of its phosphopyridoxyl derivate. The limit of detection is ...
