3,4-Dihydroxybenzeneacetic acid

3,4-Dihydroxybenzeneacetic acid - Names and Identifiers

Name	3,4-dihydroxyphenylacetic acid
Synonyms	DOPAC ba2773 Ba 2773 Hypoxanthine DisodiuM Homoprotocatechuic acid Dihydroxyphenylacetic acid (3,4-dihydroxyphenyl)acetate 3,4-dihydroxy-benzeneaceticaci 3,4-dihydroxybenzeneaceticacid 3,4-dihydroxyphenylacetic acid 3,4-Dihydroxybenzeneacetic acid (3,4-dihydroxyphenyl)-aceticaci Benzeneacetic acid, 3,4-dihydroxy- DIHYDROXYPHENYLACETIC ACID, 3,4-(RG)
CAS	102-32-9
EINECS	203-024-1
InChI	InChI=1/C8H8O4/c9-7(10)8(11,12)6-4-2-1-3-5-6/h1-5,11-12H,(H,9,10)

3,4-Dihydroxybenzeneacetic acid - Physico-chemical Properties

Molecular Formula	C8H8O4
Molar Mass	168.15
Density	1.3037 (rough estimate)
Melting Point	127-130 °C (lit.)
Boling Point	257.07°C (rough estimate)
Flash Point	187.303°C
Water Solubility	Soluble in water and methanol.
Solubility	DMSO:33 mg/mL (196.25 mM)
Vapor Presure	0mmHg at 25°C
Appearance	White to gray (Solid)
Color	White to off-white
BRN	2211017
pKa	4.42±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.5090 (estimate)
MDL	MFCD00004338
In vitro study	3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine. Cerebrospinal fluid (CSF) 3,4-Dihydroxybenzeneacetic acid (DOPAC) is derived from intra-neuronal metabolism of cytoplasmic dopamine, and acts as a sensitive and specific biomarker of central dopamine deficiency.

3,4-Dihydroxybenzeneacetic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
RTECS	AH0590000
FLUKA BRAND F CODES	10-23
HS Code	29182900

3,4-Dihydroxybenzeneacetic acid - Reference

Reference

1. Zhu Caixia, Huang Li, Fang Yongqi, et al. Effects of β-asarone on Behavior and Monoamine Neurotransmitters in Chronic Unpredictable Mild Stimulation Mouse Model [J]. Shi Zhen Guo Yi Guo Yao 2017(04):833-836.
2. Gao Xuexia, Zhou Xi, Liu Meihong, et al. Carbon Quantum Dots/Fe3 Composite for Biosensing Detection of Ascorbic Acid [J]. Progress in Chemical Industry, 2019, 38(07).
3. Kang Chao, Hao Du, Jian Sijie, Rong Na, Liu Xiang, Ding Rui. Evaluation of the metabolic effects of phenylacetic acid at different hydroxyl sites on four liver microsomal enzymes by probe drug method [J]. Journal of Shaanxi University of Technology (Natural Science Edition),2021,37(01):50-56 78.
4. [IF = 2.952] Chungang Liu et al."Paecilomyces tenuipes extract prevents depression-like behaviors in chronic unpredictable mild stress-induced rat model via modulation of neurotransmitters." Mol Med Rep.2017 Aug;16(2):2172-2178

3,4-Dihydroxybenzeneacetic acid - Reference Information

NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
Use	3, 4-dihydroxyphenylacetic acid is a metabolite of dopamine.
biological activity	3, acid is the main metabolite of dopamine.

Last Update：2024-04-09 21:21:28