Chloranil CAS#118-75-2
1. Versatile Solubility:
Benzyl alcohol is sparingly soluble in water but easily mixes with organic solvents like ethanol, ether, benzene, and chloroform, making it useful in various industrial applications.
2. Natural Occurrence:
Found in essential oils (e.g., jasmine, ylang-ylang), it adds value as a natural ingredient in perfumes and fragrances.
3. Mild Fragrance:
It has a pleasant, floral scent, which is ideal for use in cosmetics, perfumes, and other products where fragrance is important.
4. Low Toxicity:
With minimal toxicity, benzyl alcohol is considered safer for industrial and cosmetic uses, though precautions should still be taken due to its potential irritancy.
Benzyl alcohol, also referred to as phenylmethanol, has the molecular formula C6H5CH2OH and a density of 1.045 g/mL at 25°C (lit.). It is the most basic aromatic alcohol containing a phenyl group and can be viewed as benzene with a hydroxymethyl substituent or methanol with a phenyl substituent. This compound is a colorless, clear, thick liquid with a mild fragrant scent. Occasionally, upon prolonged storage, benzyl alcohol may develop a faint bitter almond odor resembling benzaldehyde due to oxidation. It is polar, minimally toxic, and exhibits low vapor pressure, making it suitable as an alcoholic solvent. It is also flammable. Benzyl alcohol is sparingly soluble in water (approximately 1 gram dissolves in 25 mL of water) but mixes readily with organic solvents like ethanol, ether, benzene, and chloroform.
Naturally, benzyl alcohol occurs in essential oils either in free form or as esters, such as in jasmine oil, ylang-ylang oil, plumeria oil, hyacinth oil, moonflower oil, Peru balsam, and Tolu balsam Chemicalbook. Long-term storage of benzyl alcohol is not recommended, as it gradually oxidizes in air to form benzaldehyde and anisole. Consequently, commercial benzyl alcohol often carries the distinct almond-like fragrance of benzaldehyde. Moreover, benzyl alcohol can be readily oxidized to benzoic acid by various oxidizing agents (e.g., concentrated nitric acid).
This compound possesses anesthetic properties but can also cause significant irritation to the eyes, skin, and respiratory tract. It is harmful if swallowed, inhaled, or absorbed through the skin. Ingestion may lead to headaches, nausea, vomiting, gastrointestinal distress, seizures, unconsciousness, and, in extreme cases, fatality. The median lethal dose (LD50) for rats is 1230 mg/kg. Upon entering the body, benzyl alcohol is initially oxidized to benzoic acid, which then conjugates with glycine in the liver and is excreted as hippuric acid. When used as a solvent in intramuscular injections, benzyl alcohol may induce gluteal muscle contracture.
Melting point | -15 °C |
Boiling point | 205 °C |
density | 1.045 g/mL at 25 °C(lit.) |
vapor density | 3.7 (vs air) |
vapor pressure | 13.3 mm Hg ( 100 °C) |
FEMA | 2137 | BENZYL ALCOHOL |
refractive index | n20/D 1.539(lit.) |
Fp | 201 °F |
storage temp. | Store at +2°C to +25°C. |
solubility | H2O: 33 mg/mL, clear, colorless |
pka | 14.36±0.10(Predicted) |
form | Liquid |
color | APHA: ≤20 |
Odor | Mild, pleasant. |
Relative polarity | 0.608 |
explosive limit | 1.3-13%(V) |
Odor Type | floral |
biological source | synthetic |
Water Solubility | 4.29 g/100 mL (20 ºC) |
Merck | 14,1124 |
JECFA Number | 25 |
BRN | 878307 |
Henry's Law Constant | <2.70 x 10-7 at 25 °C (thermodynamic method-GC/UV, Altschuh et al., 1999) |
Exposure limits | No exposure limit is set. Because of its low vapor pressure and low toxicity, the health hazard to humans from occupational exposure should be very low. |
Dielectric constant | 13.1（20℃） |
InChIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
LogP | 1.05 at 20℃ |
Surface tension | 39.2mN/m at 293.15K |
CAS DataBase Reference | 100-51-6(CAS DataBase Reference) |
NIST Chemistry Reference | Benzyl alcohol(100-51-6) |
EPA Substance Registry System | Benzyl alcohol (100-51-6) |
Safety Information
Hazard Codes | Xn,T |
Risk Statements | 20/22-63-43-36/37/38-23/24/25-45-40 |
Safety Statements | 26-36/37-24/25-23-53 |
RIDADR | UN 1593 6.1/PG 3 |
WGK Germany | 1 |
RTECS | DN3150000 |
F | 8-10-23-35 |
Autoignition Temperature | 817 °F |
TSCA | Yes |
HS Code | 29062100 |
Hazardous Substances Data | 100-51-6(Hazardous Substances Data) |
Toxicity | LD50 orally in rats: 3.1 g/kg (Smyth) |
