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| CAS No.: | 99-10-5 |
|---|---|
| Name: | 3,5-Dihydroxybenzoic acid |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6O4 |
| Molecular Weight: | 154.122 |
| Synonyms: | a-Resorcylic acid (8CI);5-Carboxyresorcinol;NSC 22948; |
| EINECS: | 202-730-7 |
| Density: | 1.559 g/cm3 |
| Melting Point: | 236-238 °C (dec.)(lit.) |
| Boiling Point: | 411.5 °C at 760 mmHg |
| Flash Point: | 216.8 °C |
| Solubility: | Water: 84 g/L (20 °C) |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 77.76000 |
| LogP: | 0.79600 |
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| Conditions | Yield |
|---|---|
| With Cyclohexyl iodide In N,N-dimethyl-formamide for 3h; Heating; | 92% |
- 501-36-0
(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol
A
- 99-10-5
3,5-Dihydroxybenzoic acid
B
- 123-08-0
4-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water; acetone at 40℃; for 1h; Reagent/catalyst; | A 46% B 73% |
| Conditions | Yield |
|---|---|
| With calcium hydroxide; water; copper at 160 - 170℃; |
- 16110-99-9
3,6-dichlorophthalic acid
- 99-10-5
3,5-Dihydroxybenzoic acid
| Conditions | Yield |
|---|---|
| With copper at 310℃; bei der Kalischmelze; |
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Chemistry
IUPAC Name: 3,5-Dihydroxybenzoic acid
Following is the structure of Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5):
Molecular Formula: C7H6O4
Molecular Weight: 154.12 g/mol
EINECS: 202-730-7
Density: 1.559 g/cm3
Melting Point: 235 - 237 °C
Flash Point: 216.8 °C
Freely Rotating Bonds: 3
Index of Refraction: 1.67
Molar Volume: 98.8 cm3
Molar Refractivity: 36.94 cm3
Polarizability: 14.64 10-24 cm3
Surface Tension: 84.2 dyne/cm
Water Solubility: 84 g/L (20 °C)
Boiling Point: 411.5 °C at 760 mmHg
Enthalpy of Vaporization: 70.01 kJ/mol
Vapour Pressure: 1.64E-07 mmHg at 25 °C
Solubility: slightly soluble (soluble in hot alcohol, ether)
Appearance of Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5): white to off-white crystalline powder
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Building Blocks for Dendrimers; Functional Materials
Canonical SMILES: C1=C(C=C(C=C1O)O)C(=O)O
InChI: InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKey: UYEMGAFJOZZIFP-UHFFFAOYSA-N
Uses
α-resorcylic acid(99-10-5) is used in organic synthesis and as intermediate for the pharmaceutical.
Toxicity Data With Reference
| 1. | ivn-mus LD50:2000 mg/kg | PMDCAY Progress in Medical Chemistry. 5 (1967),59. |
Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: 
Xi.
Xi: Irritant.
Risk Statements: 36/37/38.
36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39.
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36: Wear suitable protective clothing.
37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: VH3708000
Hazard Note: Irritant
HS Code: 29182990
Specification
Benzoic acid,3,5-dihydroxy- , its cas register number 99-10-5. It also can be called 3,5-Dihydroxybenzoic acid ; Acide 3,5-dihydroxybenzoïque ; and 5-Carboxyresorcinol . Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5) should avoid the condition like incompatible materials, excess heat, exposure to moist air or water. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.