Benzoic acid, p-hydroxy-, heptyl ester
n-Heptyl 4-hydroxybenzoate
CAS: 1085-12-7
Molecular Formula: C14H20O3
Benzoic acid, p-hydroxy-, heptyl ester - Names and Identifiers
Benzoic acid, p-hydroxy-, heptyl ester - Physico-chemical Properties
| Molecular Formula | C14H20O3 |
| Molar Mass | 236.31 |
| Density | 1.0717 (rough estimate) |
| Melting Point | 46-51 °C |
| Boling Point | 338.77°C (rough estimate) |
| Flash Point | 143.1°C |
| Water Solubility | Soluble in alcohol, phenoxyethanol, propylene glycol. Insoluble in water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 1.74E-05mmHg at 25°C |
| Appearance | Yellow-like crystals |
| Color | White to Off-White |
| pKa | 8.23±0.15(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5800 (estimate) |
| MDL | MFCD00016481 |
| Physical and Chemical Properties | Colorless fine crystals or white crystalline powder. No odor or slight special odor and bitter smell. Very soluble in water. Soluble in ethanol and ether. |
Benzoic acid, p-hydroxy-, heptyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37 - Wear suitable gloves. |
| RTECS | DH2202000 |
| TSCA | Yes |
| HS Code | 29182900 |
Benzoic acid, p-hydroxy-, heptyl ester - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | accurately weigh about 3.5g of sample, move into a flask, add 40.0ml of 1mol/L sodium hydroxide solution, and rinse the side wall of the flask with water. Cover the surface dish, boil over low heat for 1h, and titrate excess sodium hydroxide with 1mol/L sulfuric acid to Ph = 6.5 after cooling. At the same time, blank test is carried out and necessary correction is made. Per Mi,1mol/L sodium hydroxide is equivalent to 236.3mg (on a dry basis) of this product (C14H20O3). |
| toxicity | can be safely used in food (FDA, 172.145,2000). |
| use limit | FDA,§ 172.145(2000,mg/kg); Fermented malt beverage 12, non-carbonated beverage and fruit juice beverage 20. |
| use | preservatives; Antimicrobial agents. |
| Production method | Made from p-hydroxybenzoic acid and heptanol in the presence of sulfuric acid. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | subcutaneous-mouse LD50: 4000 mg/kg |
| flammability hazard characteristics | combustible, spicy and irritating smoke from the fire site |
| storage and transportation characteristics | warehouse low temperature, ventilation, drying |
| fire extinguishing agent | water, carbon dioxide, dry powder, sand |
Last Update：2024-04-09 20:49:11
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CAS: 1085-12-7
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