Benzaldehyde

Benzaldehyde
Compound Structure:
Synonyms: Benzaldehyde;100-52-7;Benzoic aldehyde; Phenylmethanal; Benzenecarboxaldehyde; Benzenecarbonal;Benzenemethylal; Benzaldehyde FFC;Benzene carbaldehyde;Benzene carboxaldehyde;Benzanoaldehyde
Compound ID: NMPC-619
PubChem ID:

240

Molecular Formula: C7H6O
Canonical SMILES: C1=CC=C(C=C1)C=O
InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
About the compound:

Benzaldehyde is a chemical compound with several notable characteristics and uses. Here's some information about benzaldehyde: Physical Properties: Benzaldehyde is a clear, colorless to yellow liquid with a distinctive bitter almond odor. It has a flash point near 145 °F and is denser than water, causing it to sink in water. Its vapors are heavier than air. Environmental Hazard: One of the primary hazards associated with benzaldehyde is its impact on the environment. Immediate action should be taken to limit its spread to the environment, as it can easily penetrate the soil and contaminate groundwater and nearby waterways. Uses: Benzaldehyde has several important uses, including: Flavoring Agent: It is used as a flavoring agent, particularly in foods and beverages where an almond-like flavor is desired. Perfume Making: It is a key ingredient in the production of perfumes and fragrances, contributing to their scent profiles. Odorant Receptor Agonist: Benzaldehyde can activate odorant receptors, making it valuable in the field of sensory science. Plant Metabolite: It occurs naturally as a metabolite in certain plants. Enzyme Inhibitor: Benzaldehyde acts as an inhibitor of specific enzymes, including nitrilase (EC 3.5.5.1) and triacylglycerol lipase (EC 3.1.1.3). Natural and Synthetic Sources: Benzaldehyde can be found in natural sources, such as bitter almond oil, and can also be synthetically produced. Synthetic benzaldehyde is often used as a flavoring agent in imitation almond extract, commonly used to flavor baked goods. Industrial Utility: Benzaldehyde is one of the most industrially useful aldehydes due to its versatile applications in the food, fragrance, and chemical industries.

GHS Hazard Statements

H302: Harmful if swallowed [Warning Acute toxicity, oral]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

106.12 g/mol

XLogP3

1.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

106.041864811 g/mol

Monoisotopic Mass

106.041864811 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

72.5

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Benzaldehyde appears as a clear colorless to yellow liquid with a bitter almond odor. Flash point near 145 °F. More denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. The primary hazard is to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrates the soil to contaminate groundwater and nearby waterways. Used in flavoring and perfume making.

Boiling Point

354 °F at 760 mmHg (NTP, 1992)

Melting Point

-15 °F (NTP, 1992)

Density

1.046 at 68 °F (USCG, 1999)

Solubility 

very slightly soluble in water; soluble in organic solvents, oils

Vapor Pressure

1 mmHg at 79.2 °F ; 5 mmHg at 122.2 °F; 10 mmHg at 144 °F (NTP, 1992)

Source: PubChem

Source Species: Gongronema latifolium
Hirsute Palisota
Eucalyptus torelliana
Pteris togoensis
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