402834

Benzyl alcohol

ACS reagent, ≥99.0%

• Synonym(s): Benzenemethanol
• Linear Formula: C₆H₅CH₂OH
• CAS Number: 100-51-6
• Molecular Weight: 108.14
• Beilstein/REAXYS Number: 878307
• EC Number: 202-859-9
• MDL number: MFCD00004599
• UNSPSC Code: 12352104
• eCl@ss: 39023110
• PubChem Substance ID: 329755967
• NACRES: NA.21

Properties

• grade: ACS reagent
• vapor density: 3.7 (vs air)
• vapor pressure: 13.3 mmHg ( 100 °C); 3.75 mmHg ( 77 °C)
• assay: ≥99.0%
• form: liquid
• autoignition temp.: 817 °F
• expl. lim.: 0.34-6.3 %
• impurities: ≤0.01% Benzaldehyde (C₆H₅CHO); ≤0.02% Acetophenone (C₆H₅COCH₃)
• ign. residue: ≤0.005%
• color: APHA: ≤20
• refractive index: n20/D 1.539 (lit.)
• bp: 203-205 °C (lit.)
• mp: −16-−13 °C (lit.)
• density: 1.045 g/mL at 25 °C (lit.)
• SMILES string: OCc1ccccc1
• InChI: 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
• InChI key: WVDDGKGOMKODPV-UHFFFAOYSA-N

Description

General description

Benzyl alcohol (BnOH) is a monoaromatic primary alcohol widely used as a solvent and an intermediate in cosmetic formulations, pharmaceutical and flavor/fragrance industries. It shows bacteriostatic property. Commercial method for its synthesis is by the alkaline hydrolysis of benzyl chloride. Conformational studies by ab initio calculations shows gauche cis conformation around the alcoholic group.

Application

Benzyl alcohol may be used for the benzylation of toluene.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H332,H319
• pcodes: P261 - P264 - P271 - P301 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 213.8 °F - DIN 51758
• flash_point_c: 101 °C - DIN 51758