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100-52-7

100-52-7 Structure

100-52-7 Structure
IdentificationMore
[Name]

Benzaldehyde
[CAS]

100-52-7
[Synonyms]

AKOS BBS-00003184
ARTIFICIAL ESSENTIAL OIL OF ALMOND
BALD
BENZALDEHYDE
BENZENECARBONAL
BENZOIC ALDEHYDE
BENZYL ALDEHYDE
BITTER ALMOND OIL
FEMA 2127
LABOTEST-BB LT00939687
OIL OF BITTER ALMOND
phenylmethanal
Almond artificial essential oil
almondartificialessentialoil
Artifical essential oil of almond
Artificial Almond Oil
Artificial bitter almond oil
artificialalmondoil
Benzaldehyde FFC
benzaldehydeffc
[EINECS(EC#)]

202-860-4
[Molecular Formula]

C7H6O
[MDL Number]

MFCD00003299
[Molecular Weight]

106.12
[MOL File]

100-52-7.mol
Chemical PropertiesBack Directory
[Appearance]

Benzaldehyde is a clear to yellowish liquid with an almond odor. The Odor Threshold is 0.042 ppm.
[Appearance]

Colorless to light yellow liquid
[mp ]

-26 °C
[bp ]

179 °C
[density ]

1.044 g/cm 3 at 20 °C(lit.)
[vapor density ]

3.7 (vs air)
[vapor pressure ]

4 mm Hg ( 45 °C)
[FEMA ]

2127
[refractive index ]

n20/D 1.545(lit.)
[Fp ]

145 °F
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, reducing agents, steam. Air, light and moisture-sensitive.
[Water Solubility ]

<0.01 g/100 mL at 19.5 ºC
[FreezingPoint ]

-56℃
[Sensitive ]

Air Sensitive
[Merck ]

14,1058
[BRN ]

471223
[Uses]

Benzaldehyde is a flavoring agent which is liquid and colorless, and has an almond-like odor. it has a hot (burning) taste. it is oxidized to benzoic acid when exposed to air and deteriorates under light. it is miscible in volatile oils, fixed oils, ether, and alcohol; it is spar- ingly soluble in water. it is obtained by chemical synthesis and by natural occurrence in oils of bitter almond, peach, and apricot kernel. it is also termed benzoic aldehyde.
[CAS DataBase Reference]

100-52-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde(100-52-7)
[EPA Substance Registry System]

100-52-7(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Benzaldehyde is a colorless to yellow, oily liquid with an odor of bitter almonds. Benzaldehyde is commercially available in two grades: (i) pure benzaldehyde and (ii) and double-distilled benzaldehyde. The latter has applications in the pharmaceutical, perfume, and fl avor industries. Benzaldehyde may contain trace amounts of chlorine, water, benzoic acid, benzyl chloride, benzyl alcohol, and/or nitrobenzene. Benzaldehyde is ignited relatively easily on contact with hot surfaces. This has been attributed to the property of very low auto-ignition temperature. Benzaldehyde also undergoes autoxidation in air and is liable to self-heat. Benzaldehyde exists in nature, occurring in combined and uncombined forms in many plants. Benzaldehyde is also the main constituent of the essential oils obtained by pressing the kernels of peaches, cherries, apricots, and other fruits. Benzaldehyde is released into the environment in emissions from combustion processes, such as gasoline and diesel engines, incinerators, and wood burning. It is formed in the atmosphere through photochemical oxidation of toluene and other aromatic hydrocarbons. Benzaldehyde is corrosive to gray and ductile cast iron (10% solution), and all concentrations of lead. However, pure benzaldehyde is not corrosive to cast iron. Benzaldehyde does not attack most of the common metals, like stainless steels, aluminum, aluminum bronze, nickel and nickel-base alloys, bronze, naval brass, tantalum, titanium, and zirconium. On decomposition, benzaldehyde releases peroxybenzoic acid and benzoic acidBenzaldehyde is used in perfumes, soaps, foods, drinks, and other products; as a solvent for oils, resins, some cellulose ethers, cellulose acetate, and cellulose nitrate. The uses of benzaldehyde in industries are extensive. For instance, in the production of derivatives that are employed in the perfume and fl avor industries, like cinnamaldehyde, cinnamyl alcohol, cinnamic acid, benzylacetone, and benzyl benzoate, in the production of triphenylmethane dyes and the acridine dye, benzofl avin; as an intermediate in the pharmaceutical industry, for instance, to make chloramphenicol, ephedrin, and ampicillin, as an intermediate to make benzoin, benzylamine, benzyl alcohol, mandelic acid, and 4-phenyl-3-buten-2-one (benzylideneacetone), in photochemistry, as a corrosion inhibitor and dyeing auxiliary, in the electroplating industry, and in the production of agricultural chemicals
[General Description]

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.
[Reactivity Profile]

A nontoxic, combustible liquid, reacts with oxidizing reagents. BENZALDEHYDE(100-52-7) must be blanketed with an inert gas at all times since BENZALDEHYDE(100-52-7) is oxidized readily by air to benzoic acid [Kirk-Othmer, 3rd ed., Vol. 3, 1978, p. 736]. In contact with strong acids or bases BENZALDEHYDE(100-52-7) will undergo an exothermic condensation reaction [Sax, 9th ed., 1996, p. 327]. A violent reaction was observed on contact with peroxyacids (peroxyformic acid) [DiAns, J. et al., Ber., 1915, 48, p. 1136]. An explosion occurred when pyrrolidine, BENZALDEHYDE(100-52-7), and propionic acid were heated to form porphyrins.
[Air & Water Reactions]

Oxidizes in air to form benzoic acid, which is moderately toxic by ingestion. Insoluble in water.
[Hazard]

Highly toxic.
[Health Hazard]

Exposures to theExposures to the vapor of benzaldehyde cause irritation to the upper respiratory tract, intolerable irritation of the nose and throat, headache, nausea, dizziness, drowsiness, and confusion. It is a CNS depressant. Exposures to benzaldehyde cause moderate to severe eye irritation and prolonged periods of exposure cause corrosive effects to the skin, like burns, scarring, and skin injury, fatigue, headache, nausea, dizziness, and loss of coordination. At higher concentrations, benzaldehyde produces more severe effects, such as sore throat, abdominal pain, nausea, CNS depression, convulsions, and respiratory failure. The estimated lethal dose of benzaldehyde has been reported as 2 oz. There is no data on humans and the information and conclusions are based on evidence obtained from animal studies. vapor of benzaldehyde cause irritation to the upper respiratory tract,
[Health Hazard]

Inhalation of concentrated vapor may irritate eyes, nose and throat. Liquid is irritating to the eyes. Prolonged contact with the skin may cause irritation.
[Potential Exposure]

In manufacture of perfumes, dyes, and cinnamic acid; as solvent; in flavors.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Shipping]

UN1990 Benzaldehyde, Hazard class: 9; Labels: 9—Miscellaneous hazardous material.
[Incompatibilities]

The substance reacts with air, forming explosive peroxides. Reacts violently with performic acid, oxidants, aluminum, iron, bases, and phenol, causing fire and explosion hazard. May self-ignite if absorbed in combustible material with large surface area, or otherwise dispersed over large areas. Reacts with rust, amines, alkalies, strong bases, reducing agents such as hydrideds and active metals.
[Waste Disposal]

Incineration; add combustible solvent and spray into incinerator with afterburner.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24:Avoid contact with skin .
[RIDADR ]

UN 1990 9/PG 3
[WGK Germany ]

1
[RTECS ]

CU4375000
[F ]

8
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29122100
[storage]

Benzaldehyde should be kept stored in a tightly closed container and protected against physical damage. Storage of the chemical substance outside or in a detached area is preferred, whereas inside storage should be in a standard flammable liquids storage room or cabinet. Benzaldehyde should be kept separated from oxidizing materials. Also, storage and use areas should be no smoking areas. Containers of this material may be hazardous when empty since they retain product residues (vapors, liquid); observe all warnings and precautions listed for the product
[Precautions]

Workers should be careful when using benzaldehyde because there is a risk of spontaneous combustion. It may ignite spontaneously if it is absorbed onto rags, cleaning cloths, clothing, sawdust, diatomaceous earth (kieselguhr), activated charcoal, or other materials with large surface areas in workplaces. Workers should avoid handling the chemical substance and should not cut, puncture, or weld on or near the container. Exposure of benzaldehyde to air, light, heat, hot surfaces such as hot pipes, sparks, open flames, and other ignition sources should be avoided. Workers should wear proper personal protective clothing and equipment
[Safety Profile]

Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. An allergen. Acts as a feeble local anesthetic. Local contact may cause contact dermatitis. Causes central nervous system depression in small doses and convulsions in larger doses. A skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible liquid. To fight fire, use water (may be used as a blanket), alcohol, foam, dry chemical. A strong reducing agent. Reacts violently with peroxyformic acid and other oxidizers. See also ALDEHYDES.
[Hazardous Substances Data]

100-52-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Sodium carbonate-->Palladium-->Chlorine-->Benzyl chloride-->Zinc oxide -->CARBON MONOXIDE-->Aluminium chloride hexahydrate-->Benzyl alcohol-->Molybdenum trioxide-->Ozone-->trans-Cinnamaldehyde-->Zinc phosphate-->Cinnamon oil-->Amygdalin
[Preparation Products]

2,3,5-Triphenyltetrazolium chloride-->whitener WG for wool-->Benzalacetone-->3,5-DIPHENYLPYRAZOLE-->Epalrestat-->Bis(dibenzylideneacetone)palladium-->2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide-->L-Arginine hydrochloride-->2-(Acetylamino)-3-phenyl-2-propenoic acid-->Methyl 1H-indole-2-carboxylate-->TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID-->1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE MONOHYDRATE-->Acid Blue 90-->Diaveridine-->Nifedipine-->Reactive Blue 104-->3,4-Dichlorobenzylamine-->Tris(dibenzylideneacetone)dipalladium-->Nitrotetrazolium blue chloride-->BENZYLHYDRAZINE DIHYDROCHLORIDE-->(R)-(+)-N-Benzyl-1-phenylethylamine-->2-((E)-2-Hydroxy-3-phenylacryloyl)benzoic acid ,97%-->(E)-3-Benzylidene-3H-isochromene-1,4-dione ,97%-->Reactive Blue BRF-->FLAVANONE-->L-Phenylglycine-->Benzenemethanol, ar-methyl-, acetate-->ASTRAZON BRILLIANT RED 4G-->2-amino-5-chloro-diphenyl methanol-->Magentagreencrystals-->Acid Blue 9-->alpha-Hexylcinnamaldehyde-->DL-Mandelic acid-->N,N'-BISBENZYLIDENEBENZIDINE-->2,4,5-TRIPHENYLIMIDAZOLE-->4-Hydroxybenzylideneacetone-->5,5-Diphenylhydantoin-->1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride-->N,N'-Dibenzyl ethylenediamine diacetate-->2-PHENYL-1.3-DIOXOLANE-4-METHANOL
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Benzaldehyde(100-52-7).msds
Questions And AnswerBack Directory
[description]

Benzaldehyde is an organic compound, and is synthetized by the way that the hydrogen of benzene is substituted by aldehyde. It is the most simple, and also the most commonly used industrial aromatic aldehyde. It is a colorless liquid at room temperature and has a special almond odor. Benzaldehyde is a compound that aldehyde is directly linked to the phenyl group, because it has a similar bitter almond flavor. Benzaldehyde widely exists in plant, especially in the Rosaceae plants. It is mainly in the form of glycosides in plant stem bark, leaves or seeds, such as amygdalin, bitter almond, cherry, laurel, peach. Benzaldehyde is naturally in bitter almond oil, patchouli oil, hyacinth oil, cananga oil. The compound is also in the nutlets and nuts, and exists in the form of Amygdalin, which is combination of glycosides. The chemical properties of Benzaldehyde is similar to that of aliphatic aldehydes, but It is also different. Benzaldehyde cannot reduce fehling reagent. When the reducing fat is used to reduce the benzaldehyde, the main products are benzene methanol, four substituted for the ortho-glycol and two-phenyl ethylene glycol. In the presence of potassium cyanide, two molecules of benzaldehyde form benzoin by acceptance the hydrogen atom. The substitution reaction in aromatic nucleus of benzaldehyde is mainly the meta-position product. For example, the main product is the m-nitrobenzaldehyde , when benzaldehyde is nitrated.
benzaldehyde structure
benzaldehyde structure
[Uses]

1. Benzaldehyde is an important raw material for medicine, dyestuff, perfume and resin industry. It also can be used as solvent, plasticizer and low temperature lubricant. In essence, it is mainly used for the deployment of food flavor. A small amount of benzaldehyde is daily use in flavor and flavor of tobacco. In spite of being widely used as commercial food condiment and industrial solvents, the main use of benzyl alcohol is still used to synthesize a variety of other compounds from pharmaceuticals to plastic additives. Benzyl alcohol is an important intermediate product in the production of perfumes, spices, and some aniline dyes.
Mandelic acid was synthesized by benzaldehyde as the starting reagent: With the first hydrocyanic acid reacts with benzaldehyde, then mandelonitrile hydrolyzed to Racemic mandelic acid. Glacialist LaChepelle and Stillman reported Ice crystallization is inhibited by benzaldehyde and aldehydes ice in 1966, so as to prevent the thick frost formation (Depth Hoar). This process can prevent snowslide caused by the instability of the snow cover. However, this compound has not been used extensively, because of the destruction of vegetation and polluted water sources.
2.It is mainly used for the preparation of flavors, such as almond, cherry, peach, nuts, etc., the amount is up to 40%. As aromatizing agent canned cherry syrup, adding amount is sugar 3mL/kg.
3. Pharmaceutical, dyestuff, spice intermediates. For the production of oxygen based benzene formaldehyde, lauric acid, lauric aldehyde, malachite, benzyl benzoate, benzyl aniline and benzylidene acetone etc.. Used to tune the soap flavor, edible essence, etc.
4. As the head of the special aroma, it is used trace formula for fragrance, such as lilac, white, violet, jasmine, acacia, sunflower, sweet plum, orange flower, Tofu pudding etc.. Also it is used in soap. Also it can be used as edible spices for almond, coconut cream, berries, cherries, apricots, peaches, plums, walnuts, and vanilla bean, spicy flavor. Wine with flavors such as rum, brandy, etc.
5. Benzaldehyde is an intermediate of herbicide resistance, plant growth regulator, and anti-amine.
6. Used as a reagent for the determination of ozone, phenol, alkaloid and methylene. Used in the preparation of spices.
[Production]

Benzaldehyde can be prepared by a variety of ways.
  • Obtained from natural essential oils by fractionation.
  • Ozone oxidation and thiourea reduction reaction of natural cinnamon oil (containing cinnamaldehyde constituent 80% or more)
  • Catalytic oxidation of Toluene
  • Hydrolyze dichloromethane under alkaline conditions.
[reactions]

Benzaldehyde can be slowly oxidized to benzoic acid in air, so a small amount of hydroquinone is often added to prevent its oxidation.

There is no α-H atom in the benzaldehyde molecule. Disproportionation reaction(Cannizarro reaction) may occur under the action of concentrated alkali:

Heating benzaldehyde in the presence of catalyst of cyanide ion, it will occur bimolecular condensation:
Spectrum DetailBack Directory
[Spectrum Detail]

Benzaldehyde(100-52-7) IR1
Benzaldehyde(100-52-7) Raman
Benzaldehyde(100-52-7) 1H NMR
Benzaldehyde(100-52-7) 13C NMR
Benzaldehyde(100-52-7) MS
Benzaldehyde(100-52-7) IR2
Benzaldehyde(100-52-7) ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzaldehyde, redistilled, AcroSeal?, pure, 99.5+%(100-52-7)
[Alfa Aesar]

Benzaldehyde, 99+%(100-52-7)
[Sigma Aldrich]

100-52-7(sigmaaldrich)
[TCI AMERICA]

Benzaldehyde,>98.0%(GC)(100-52-7)
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