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3,4-Dihydroxyphenylacetic acid

CAS No.102-32-9
Chemical Name:3,4-Dihydroxyphenylacetic acid
CBNumber:CB7358779
Molecular Formula:C8H8O4
Formula Weight:168.15
MOL File:102-32-9.mol

3,4-Dihydroxyphenylacetic acid Property

Melting point 127-130 °C (lit.)
Boiling point 257.07°C (rough estimate)
Density 1.3037 (rough estimate)
refractive index 1.5090 (estimate)
storage temp. Inert atmosphere,Room Temperature
solubility water: soluble50mg/mL, clear, almost colorless
pka 4.42±0.10(Predicted)
form Powder, Crystals or Lumps
color White to off-white
Water Solubility Soluble in water and methanol.
BRN 2211017
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=C(O)C(O)=C1
LogP 0.980
CAS DataBase Reference 102-32-9(CAS DataBase Reference)
EWG's Food Scores 1-4
FDA UNII KEX5N0R4N5
NIST Chemistry Reference Acetic acid, (3,4-dihydroxyphenyl)-,(102-32-9)
EPA Substance Registry System 3,4-Dihydroxyphenylacetic acid (102-32-9)
UNSPSC Code 77101502
NACRES NA.24

Safety

Hazard Codes :Xi
Risk Statements :36/37/38
Safety Statements :26-36
WGK Germany :3
RTECS :AH0590000
F :10-23
HS Code :29182900

NFPA 704:

	1
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338

3,4-Dihydroxyphenylacetic acid Price More Price(1)

Brand: TCI Chemicals (India)
Product number: D1283
Product name : 3,4-Dihydroxyphenylacetic Acid
Purity: min. 98.0 %
Packaging: 25G
Price: ₹16000
Updated: 2022/05/26
Buy: Buy

3,4-Dihydroxyphenylacetic acid Chemical Properties,Usage,Production

Description 3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine. Dopamine can be metabolized into one of three substances. One such substance is DOPAC. Another is 3-methoxytyramine (3-MT). Both of these substances are degraded to form homovanillic acid (HVA). Both degradations involve the enzymes monoamine oxidase (MAO) and catechol-O-methyl transferase (COMT), albeit in reverse order: MAO catalyzes dopamine to DOPAC, and COMT catalyzes DOPAC to HVA; whereas COMT catalyzes dopamine to 3-MT and MAO catalyzes 3-MT to HVA. The third metabolic end-product of dopamine is norepinephrine (noradrenaline).
DOPAC can be oxidized by hydrogen peroxide, leading to the formation of toxic metabolites which destroy dopamine storage vesicles in the substantia nigra. This may contribute to the failure of levodopa treatment of Parkinson's disease. A MAO-B inhibitor such as selegiline or rasagiline can prevent this from happening.
wikipedia
Chemical Properties beige to light brown crystalline powder
Uses 3,4-Dihydroxyphenylacetic Acid is a metabolite of Dopamine (D533782).
Uses 3,4-Dihydroxyphenylacetic acid is an important metabolite when studying the behavior of the dopaminergic system.
Definition ChEBI: (3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.
General Description 3,4-dihydroxyphenylacetic acid (DOPAC) is a normal constituent of rat brain tissue. A mass fragmentographic method for determination of DOPAC in rat brain tissue has been described. It is major metabolite of dopamine (DA). The voltammetric reduction of DOPAC has been studied at a glassy carbon electrode modified with single-wall carbon nanotubes (SWNTs). Semi-automatic fluorometric assay technique for DOPAC has been reported.