| almond oil; benzaldehyde; benzene carbonal; benzenecarboxaldehyde; benzoic aldehyde; benzoyl hydride; phenylmethanal | |
| Links: | 🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Benzaldehyd); p. 7, 21, 23, 107, 117, 128, 206, 240, 242, 281, 332, 411, 421, 433, 446, 467, 558, 579, 584, 680, 687, 888, 910, 964, 976, 986, 1005, 1025, 📖Org. Chem., v. Richter, 1. Vol (Benzaldehyde); p. 239, |
| CAS RN: | [100-52-7] |
| Formula: | C7H6O; 106.12 g/mol |
| InChiKey: | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| SMILES: | O=Cc1ccccc1 |
| Use: | cellulose derivatives; cinnamic acid; dyes; mandelic acid; perfumes; soaps; whisky and various fruit flavors |
| Pharmaceutical use: | anesthetic; antipeptic; antispasmodic; antitumor |
| Odor: | main fragrance of oil of bitter almonds |
| Retetion Index: | 961 (HP5MS) |
| Toxicology (LD50): | 5 000 mg/Kg (rat, sc) |
| Density: | 1.042 g/mL |
| Molar volume: | 101.9 mL/mol |
| Refractive index: | 1.546 |
| Molecular refractive power: | 32.28 mL/mol |
| Dielectric constant: | 17.80 |
| Dipole moment: | 2.89 D |
| Melting point: | -26 °C |
| Boiling point: | 179 °C |
| Vapour pressure: | 1 Torr |
| Antoine equation P(Torr) vs T(°C) | |
| Critical temperature: | 352 °C |
| Critical pressure: | 4.7 atm |
| Solubility in water: | 1 % w/w |
| Log10 partition octanol / water: | 1.48 |
| Hansen solubility parameter: | δd: 9.2 (cal/mL)^0.5 δp: 4.2 (cal/mL)^0.5 δh: 2.6 (cal/mL)^0.5 |
| Partially miscible with: 1,2,3-propanetriol | |
| Miscible with: 1,2-diethoxyethane, 1,3-propanediol, 2,4-pentanedione, 2-amino-2-methyl-1-propanol, 2-ethylhexanol, 3-methyl-1-butanol, 4-hydroxy-4-methylpentan-2-one, 4-methyl-2-pentanone, benzene, butanol, butyl acetate, dibutyl ether, diethyl ether, ethanol, ethyl benzoate, formamide, furfuryl alcohol, nitromethane, octanol, pyridine, tetrachloromethane, tetraethylene glycol dibutyl ether | |
| 100g dissolves: 13.1g caffeine; 9.22g 4'-ethoxyacetanilide | |
| 1g dissolves in: 333.33g water | |