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Acetaldehyde

Acetaldehyde structure

CAS No:
75-07-0
Formula:
C2H4O
Chemical Name:
Acetaldehyde
Synonyms:
Acetaldehyde;Acetic aldehyde;Ethanal;Ethyl aldehyde;NSC 7594
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

Acetaldehyde is a highly fl ammable, volatile, colorless liquid. It has a characteristic pun- gent and suffocating odor, and is miscible in water. Acetaldehyde is ubiquitous in the ambient environment. It is an intermediate product of higher plant respiration and formed as a product of incomplete wood combustion in fi replaces and woodstoves, burning of tobacco, vehicle exhaust fumes, coal refi ning, and waste processing. Exposures to acetal- dehyde occur during the pr

Acetaldehyde (systematic name ethanal) is an organic chemical compound with the formula CH3CHO, sometimes abbreviated by chemists as MeCHO (Me = methyl). It is one of the most important aldehydes, occurring widely in nature and being produced on a large scale in industry. Acetaldehyde occurs naturally in coffee, bread, and ripe fruit, and is produced by plants. It is also produced by the partial oxidation of ethanol by the liver enzyme alcohol dehydrogenase and may be a contributing factor to hangovers from alcohol consumption. Pathways of exposure include air, water, land, or groundwater, as well as drink and smoke. Consumption of disulfiram inhibits acetaldehyde dehydrogenase, the enzyme responsible for the metabolism of acetaldehyde, thereby causing it to build up in the body.

Acetaldehyde Basic Attributes

Molecular Weight：

44.05

Exact Mass：

44.05

BRN：

505984

EC Number：

200-001-8

HScode：

2912120000

Characteristics

PSA：

17.1

XLogP3：

0.63

Appearance：

White to off-white solution

Density：

0.788 g/cm³ @ Temp: 16 °C

Melting Point：

-123.5 °C

Boiling Point：

21 °C

Flash Point：

133 °F

Refractive Index：

1.315

Water Solubility：

H2O: > 500 g/L (20 ºC);alcohols: soluble

Storage Conditions：

2-8°C

Vapor Pressure：

52 mm Hg ( 37 °C)

Vapor Density：

1.03 (vs air)

Toxicity：

Oral-Rat LD50: 661 mg/kg; subcutaneous-mouse LD50: 560 mg/kg

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

Explosive limit：

4-57%(V)

Odor：

Pungent, fruity odor

Taste：

Tart taste (fruits containing acetaldehyde before ripening)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1198 3/PG 3

wgk germany：

hazard class code：

23/24/25-34-40-43-36/37-12-67-11-41-22-10-19

safety instructions：

36/37-33-16-26

RTECS Number：

LP8925000

Marks：

T,Xn,F+,F

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable, but air sensitive. Substances to be avoided include strong oxidizing agents, strong acids, reducing agents, alkalies, halogens, halogen oxides. Highly flammable. Vapour/air mixtures explosive over a very wide concentration range. May form peroxides in storage.

Precautionary statement(s)：

P210-P261-P281-P305 + P351 + P338

Hazard Statements：

H224-H319-H335-H351

RIDADR：

UN 1089

Toxicity

Toxicity class：

moderately toxic

Acetaldehyde Use and Manufacturing

Methods of Manufacturing

Derived from the oxidation of ethylene. Derived from ethanol by gas-phase hydrogenation. It is derived from the simultaneous dry distillation of calcium acetate and calcium formate. From the addition reaction of acetylene and water.

Uses

manufacture of paraldehyde, acetic acid, butanol, perfumes, flavors, aniline dyes, plastics, synthetic rubber; silvering mirrors, hardening gelatin fibers.Flavoring agent in foods and beverages.Fumigant for storage of apples and strawberries.

Computed Properties

Molecular Weight:44.05
XLogP3:-0.3
Hydrogen Bond Acceptor Count:1
Exact Mass:44.026214747
Monoisotopic Mass:44.026214747
Topological Polar Surface Area:17.1
Heavy Atom Count:3
Complexity:10.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

3857-14-5

4676-74-8

23936-98-3

60-29-7

1076-28-4

73348-49-9

Material

Calcium formate

Ethanol

Hydrochloric acid

Nitrogen

Oxygen

Downstream Products

Acetaldehyde, 2-(methylthio)-, oxime

Glyoxal

Sorbic acid

Acetic acid

Price Analysis

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Guide of Acetaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Downstream Products
Price Analysis
Recommended Suppliers
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