3,5-dihydroxy-benzoicaci
3,5-Dihydroxybenzoic acid
CAS: 99-10-5
Molecular Formula: C7H6O4
3,5-dihydroxy-benzoicaci - Names and Identifiers
| Name | 3,5-Dihydroxybenzoic acid |
| Synonyms | DOHBA A-RESORCYLIC ACID 5-carboxyresorcinol alpha-Resorcylic acid ALPHA-RESERCYLIC ACID ALPHA-RESORCYLIC ACID 3,5-dihydroxy-benzoicaci 3,5-Dihydroxybenzoic acid 3,5-DIHYDROXYBENZOIC ACID Benzoicacid,3,5-dihydroxy- 3,5-Dihydroxy3,5-dihydroxybenzoate |
| CAS | 99-10-5 |
| EINECS | 202-730-7 |
| InChI | InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)/p-1 |
3,5-dihydroxy-benzoicaci - Physico-chemical Properties
| Molecular Formula | C7H6O4 |
| Molar Mass | 154.12 |
| Density | 1.3725 (rough estimate) |
| Melting Point | 236-238 °C (dec.) (lit.) |
| Boling Point | 237.46°C (rough estimate) |
| Flash Point | 200°C |
| Water Solubility | 84 g/L (20 ºC) |
| Solubility | Soluble in water, ethanol, ether, acetone. |
| Vapor Presure | 1.64E-07mmHg at 25°C |
| Appearance | White or light pink needle crystal |
| Color | Off-white to beige |
| BRN | 2207864 |
| pKa | 4.04(at 25℃) |
| PH | 2.3 (10g/l, H2O, 25℃) |
| Storage Condition | Store below +30°C. |
| Sensitive | Sensitive to light |
| Refractive Index | 1.6400 (estimate) |
| MDL | MFCD00002512 |
| Physical and Chemical Properties | Melting point 235-240°C water-soluble 84g/L (20°C) |
| Use | Used as an intermediate in organic synthesis, for pharmaceutical, synthetic resin, etc |
3,5-dihydroxy-benzoicaci - 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. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 1 |
| RTECS | VH3708000 |
| TSCA | Yes |
| HS Code | 29182990 |
| Hazard Note | Irritant |
| Toxicity | LD50 orally in Rabbit: 4160 mg/kg |
3,5-dihydroxy-benzoicaci - Reference
| Reference Show more | 1. [IF=7.514] Lizeng Cheng et al."Dynamic changes of metabolic profile and taste quality during the long-term aging of Qingzhuan Tea: The impact of storage age."Food Chem. 2021 Oct;359:129953 2. [IF=4.952] Yulong Wei et al."Characterization of blueberry (Vaccinium corymbosum L.) catechol oxidases III binding mechanism in response to selected substrates and inhibitors."Lwt Food Sci Technol. 2022 Mar;158:113142 |
3,5-dihydroxy-benzoicaci - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | 3,5-Dihydroxybenzoic acid (α-resorylic acid) is a primary metabolite of alkylresines. Alkylresins can be hydrolyzed by liver enzymes in Phase I metabolism. |
| Use | used as an intermediate in organic synthesis for pharmaceutical, for organic synthesis |
| production method | from benzoic acid by sulfonation, alkali fusion, acidification. The benzoic acid was sulfonated with fuming sulfuric acid at 240-250 ℃ for 5h to Form 3, 5-disulfonic acid, which was then alkali melted with sodium hydroxide at 300 ℃. The resultant reaction product was neutralized to weak alkalinity by sulfuric acid, filtered and concentrated, re-acidified to weak acidity and extracted with ether. The crude product obtained by recovering ether from the extract was recrystallized with water to obtain a finished product. |
| autoignition temperature | >500°C DIN 51794 |
Last Update：2024-04-09 02:00:11
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