CAS Number451-13-8
Synonyms(2,5-Dihydroxyphenyl)acetic acid; Melanic acid; Homogentisic acid; 2,5-Dihydroxyphenylacetic acid; (2,5-dihydroxyphenyl)-Acetic acid; EINECS 207-192-7; Homogenentisic acid; 2-(2,5-dihydroxyphenyl)acetic acid; 2,5-Dihydroxy-a-toluic Acid; 2,5-dihydroxy-benzeneacetic acid; MFCD00004324
Molecular Formula(HO)2C6H3CH2CO2H
Molecular Weight168.15
Density1.5±0.1 g/cm3
Boiling Point439.3±30.0 °C at 760 mmHg
Melting Point150-152 °C (lit.)
Appearancecrystalline
EINECS207-192-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 451-13-8 |
| Catalog No. | 2A-9086658 |
| Chinese Name | 尿黑酸，高龙胆酸 |
| Synonyms | (2,5-Dihydroxyphenyl)acetic acid; Melanic acid; Homogentisic acid; 2,5-Dihydroxyphenylacetic acid; (2,5-dihydroxyphenyl)-Acetic acid; EINECS 207-192-7; Homogenentisic acid; 2-(2,5-dihydroxyphenyl)acetic acid; 2,5-Dihydroxy-a-toluic Acid; 2,5-dihydroxy-benzeneacetic acid; MFCD00004324 |
| Molecular Formula | (HO)2C6H3CH2CO2H |
| Molecular Weight | 168.15 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 439.3±30.0 °C at 760 mmHg |
| Melting Point | 150-152 °C (lit.) |
| Appearance | crystalline |
| Storage Condition | Store airtight in a cool, dry place at 2 -8 °C. |
| Application | Homogentisic acid is a specific metabolite in urine and serum used in the diagnosis of alkaptonuria. |
| EINECS | 207-192-7 |
| HTC | 2918290000 |
| PubChem ID | 57654223 |
| MDL Number | MFCD00004324 |
| SMILES | OC(=O)Cc1cc(O)ccc1O |
| InChI | 1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
| InChI Key | IGMNYECMUMZDDF-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2692860 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/86658_1_451_13_8.pdf |
| Bioactivity | Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Target Human Endogenous Metabolite References [1]. Öztekin N, et al. Determination of homogentisic acid in urine for diagnosis of alcaptonuria: Capillary electrophoretic method optimization using experimental design. Biomed Chromatogr. 2018 Jul;32(7):e4216. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 439.3±30.0 °C at 760 mmHg Melting Point 150-152 °C(lit.) Molecular Formula C8H8O4 Molecular Weight 168.147 Flash Point 233.6±21.1 °C Exact Mass 168.042252 PSA 77.76000 LogP -0.07 Appearance of Characters crystalline | off-white to tan Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.643 InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N SMILES O=C(O)Cc1cc(O)ccc1O Storage condition 2-8°C |
| Use of | Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Properties Articles37 Name homogentisic acid Synonym More Synonyms HOMOGENTISIC ACID Biological Activity Description Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Human Endogenous Metabolite References [1]. Öztekin N, et al. Determination of homogentisic acid in urine for diagnosis of alcaptonuria: Capillary electrophoretic method optimization using experimental design. Biomed Chromatogr. 2018 Jul;32(7):e4216. Chemical & Physical Properties Molecular Formula C8H8O4 Exact Mass 168.042252 PSA 77.76000 LogP -0.07 Appearance of Characters crystalline | off-white to tan Index of Refraction 1.643 InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Hygiene supervision and inspection of imported food S. Hygiene supervision and inspection of exported food |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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