418099

Benzaldehyde

purified by redistillation, ≥99.5%

• Synonym(s): Bitter almond
• Linear Formula: C₆H₅CHO
• CAS Number: 100-52-7
• Molecular Weight: 106.12
• Beilstein: 471223
• EC Number: 202-860-4
• MDL number: MFCD00003299
• UNSPSC Code: 12352100
• eCl@ss: 39023701
• PubChem Substance ID: 24866203
• NACRES: NA.22

Properties

• vapor density: 3.7 (vs air)
• Quality Level: 200
• vapor pressure: 4 mmHg ( 45 °C)
• Assay: ≥99.5%
• form: liquid
• autoignition temp.: 374 °F
• purified by: redistillation
• expl. lim.: 1.4 %, 20 °F
• refractive index: n20/D 1.545 (lit.)
• pH: 5.9 (20 °C)
• bp: 178-179 °C (lit.)
• mp: −26 °C (lit.)
• density: 1.044 g/cm³ at 20 °C (lit.)
• functional group: aldehyde; phenyl
• SMILES string: O=Cc1ccccc1
• InChI: 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
• InChI key: HUMNYLRZRPPJDN-UHFFFAOYSA-N

Description

General description

Benzaldehyde (bitter-almond oil) is an aromatic compound commonly used in the cosmetics and flavor industries. The natural source of benzaldehyde is amygdalin, a glycoside found in apricots, bitter almonds, apples, cherries etc. Benzaldehyde is commercially produced by liquid phase chlorination and oxidation of toluene. Other methods reported to produce benzaldehyde include oxidation of benzyl alcohol, hydrolysis of benzal chloride and carbonylation of benzene.

Application

Benzaldehyde can be used as a precursor to synthesize:

• Cinnamaldehyde, cinnamic acid, ethyl cinnamate, benzoic acid, benzyl alcohol, benzyl benzoate and hydrobenzamide etc.
• Triphenylmethane derivatives by condensation with phenols, aromatic amines, and benzene. This reaction is useful for the production of malachite green dyes.
• Benzoylborane by reacting with borylmagnesium bromides.
• Multi-benzaldehyde functionalized poly(ethylene glycol) analog which is used as a cross-linker to develop an injectable hydrogel system.

Safety Information

• Pictograms: GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H302 + H332,H315,H319,H335,H360Df,H411
• Precautionary Statements: P273 - P301 + P312 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves