CAS 102-32-9|3,4-Dihydroxyphenylacetic acid
| Common Name | 3,4-Dihydroxyphenylacetic acid | ||
|---|---|---|---|
| CAS Number | 102-32-9 | Molecular Weight | 168.147 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 418.4±30.0 °C at 760 mmHg |
| Molecular Formula | C8H8O4 | Melting Point | 127-130 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 221.0±21.1 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | (3,4-dihydroxyphenyl)acetic acid |
|---|---|
| Synonym | More Synonyms |
3,4-Dihydroxyphenylacetic acid BiologicalActivity
| Description | 3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine. |
|---|---|
| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
| Target | Human Endogenous Metabolite |
| In Vitro | 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[1]. |
| References | [1]. Goldstein DS, et al. Elevated cerebrospinal fluid ratios of cysteinyl-dopamine/3,4-dihydroxyphenylacetic acid in parkinsonian synucleinopathies. Parkinsonism Relat Disord. 2016 Oct;31:79-86. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 418.4±30.0 °C at 760 mmHg |
| Melting Point | 127-130 °C(lit.) |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.147 |
| Flash Point | 221.0±21.1 °C |
| Exact Mass | 168.042252 |
| PSA | 77.76000 |
| LogP | 0.17 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.643 |
| InChIKey | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
| SMILES | O=C(O)Cc1ccc(O)c(O)c1 |
| Storage condition | −20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | AH0590000 |
| HS Code | 2918290000 |
Customs
| HS Code | 2918290000 |
|---|---|
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzeneacetic acid, 3,4-dihydroxy- |
| DOPAC |
| Benzeneacetic acid,3,4-dihydroxy |
| 3,4-dihydroxy-1-benzeneacetic acid |
| 3,4-dihydroxyphenylacetic acid |
| (3,4-dihydroxyphenyl)-Acetic acid |
| Homoprotocatechuic acid |
| 4-Carboxymethylpyrocatechol |
| 3,4-dihydroxyphenyl acetic acid |
| Pyrocatechol-4-acetic Acid |
| Benzeneacetic acid, 3,4-dihydroxy- (9CI) |
| Catechol-4-acetic Acid |
| (3,4-Dihydroxyphenyl)acetic acid |
| Dihydroxyphenylacetic acid |
| MFCD00004338 |
| 3,4-Dihydroxyphenylacetate |
| 4-Carboxymethylcatechol |
| Dopacetic acid |
| EINECS 203-024-1 |
| Homoprotocatechuate |
