Introduction：Basic information about CAS 99-10-5|3,5-Dihydroxybenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Dihydroxybenzoic acid |
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| CAS Number | 99-10-5 | Molecular Weight | 154.120 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 411.5±15.0 °C at 760 mmHg |
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| Molecular Formula | C7H6O4 | Melting Point | 236-238 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 216.8±16.9 °C |
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Names
| Name | 3,5-dihydroxybenzoic acid |
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| Synonym | More Synonyms |
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3,5-Dihydroxybenzoic acid BiologicalActivity
| Description | 3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses. |
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| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Metabolic Disease |
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| Target | Human Endogenous Metabolite |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 411.5±15.0 °C at 760 mmHg |
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| Melting Point | 236-238 °C (dec.)(lit.) |
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| Molecular Formula | C7H6O4 |
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| Molecular Weight | 154.120 |
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| Flash Point | 216.8±16.9 °C |
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| Exact Mass | 154.026611 |
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| PSA | 77.76000 |
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| LogP | 1.12 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.671 |
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| InChIKey | UYEMGAFJOZZIFP-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cc(O)cc(O)c1 |
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| Water Solubility | 84 g/L (20 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VH3708000
- CHEMICAL NAME :
- alpha-Resorcylic acid
- CAS REGISTRY NUMBER :
- 99-10-5
- BEILSTEIN REFERENCE NO. :
- 2207864
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H6-O4
- MOLECULAR WEIGHT :
- 154.13
- WISWESSER LINE NOTATION :
- QVR CQ EQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 5,59,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83895 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 30 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83895 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 108 (estimated) No. of Female Employees: 72 (estimated)
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Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36-S37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | VH3708000 |
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| Packaging Group | III |
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| HS Code | 29182990 |
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Customs
| HS Code | 2918290000 |
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| 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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Articles30
More Articles
| Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: novel construction of PTP1B inhibitors on a sugar scaffold. Eur. J. Med. Chem. 46 , 4212-8, (2011) With an aim of developing novel protein tyrosine phosphatase (PTP) 1B inhibitors based on sugar scaffolds, a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides was efficiently constructed... | |
| Inhibition of 15-lipoxygenase-catalysed oxygenation of arachidonic acid by substituted benzoic acids. Bioorg. Med. Chem. 16 , 4589-93, (2008) Elevated levels of phospholipases, prostaglandin synthases and lipoxygenases in colonic cells at various stages of malignancy indicate a strong link between dietary lipids and colon cancer. Lipoxygena... | |
| In vitro inhibition of α-carbonic anhydrase isozymes by some phenolic compounds. Bioorg. Med. Chem. Lett. 21 , 4259-62, (2011) Carbonic anhydrase inhibitors (CAIs) are a class of pharmaceuticals used as antiglaucoma agents, diuretics, antiepileptics, in the management of mountain sickness, gastric and duodenal ulcers, neurolo... | |
Synonyms
| 3,5-dihydroxybenzoate |
| UNII-2WC5LMO6L1 |
| resorcinol-5-carboxylic acid |
| 3,5-Dihydroxybenzoesure |
| A-RESORCYLIC ACID |
| 3,5-Dihydroxybenzoic acid |
| 3,5-Dihydroxybenzoic |
| Benzoic acid, 3,5-dihydroxy- |
| 5-carboxyresorcinol |
| MFCD00002512 |
| 3,5-Dihydroxy benzoic acid |
| EINECS 202-730-7 |
