Hexanal

CAS No.
66-25-1
Chemical Name:
Hexanal
Synonyms
N-HEXANAL;CAPROALDEHYDE;HEXALDEHYDE;ALDEHYDE C-6;1-HEXANAL;butacetin;hexanaldehyde;N-HEXALDEHYDE;CAPRONALDEHYDE;Natural hexanal
CBNumber:
CB9854088
Molecular Formula:
C6H12O
Molecular Weight:
100.16
MDL Number:
MFCD00007027
MOL File:
66-25-1.mol
MSDS File:
SDS
Last updated:2023-12-26 18:17:13

Hexanal Properties

Melting point -56 °C
Boiling point 130-131 °C(lit.)
Density 0.816 g/mL at 20 °C
vapor density >1 (vs air)
vapor pressure 10 mm Hg ( 20 °C)
refractive index n20/D 1.4035(lit.)
FEMA 2557 | HEXANAL
Flash point 90 °F
storage temp. 2-8°C
solubility 6g/l
form Liquid
color Clear colorless to slightly yellow
Odor Pungent.
PH 4-5 (4.8g/l, H2O, 20℃)
Odor Threshold 0.00028ppm
Odor Type green
Water Solubility 4.8 g/L (20 ºC)
Sensitive Air Sensitive
JECFA Number 92
Merck 14,1760
BRN 506198
Stability Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents.
LogP 1.97
Substances Added to Food (formerly EAFUS) HEXANAL
CAS DataBase Reference 66-25-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9DC2K31JJQ
NIST Chemistry Reference Hexanal(66-25-1)
EPA Substance Registry System Hexaldehyde (66-25-1)

SAFETY

Risk and Safety Statements

NFPA 704
3
2 1

Hexanal price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W255726 Hexanal natural, ≥95%, FG 66-25-1 100g $204 2024-03-01 Buy
Sigma-Aldrich W255726 Hexanal natural, ≥95%, FG 66-25-1 1kg $1390 2024-03-01 Buy
Sigma-Aldrich W255718 Hexanal ≥97%, FCC, FG 66-25-1 1kg $123 2024-03-01 Buy
Sigma-Aldrich W255718 Hexanal ≥97%, FCC, FG 66-25-1 4kg $369 2024-03-01 Buy
Sigma-Aldrich W255718 Hexanal ≥97%, FCC, FG 66-25-1 20kg $1300 2024-03-01 Buy
Product number Packaging Price Buy
W255726 100g $204 Buy
W255726 1kg $1390 Buy
W255718 1kg $123 Buy
W255718 4kg $369 Buy
W255718 20kg $1300 Buy

Hexanal Chemical Properties,Uses,Production

Description

Hexanal has a characteristic fruity odor and taste (on dilution). May be prepared from the calcium salt of caproic acid and formic acid.

Chemical Properties

Hexanal occurs, for example, in apple and strawberry aromas as well as in orange and lemon oil. It is a colorless liquid with a fatty, green odor and, in low concentration, is reminiscent of unripe fruit.
Hexanal is used in fruit flavors and, when highly diluted, in perfumery for obtaining fruity notes.

Chemical Properties

Colorless liquid; sharp aldehyde odor.Immiscible with water.

Chemical Properties

Hexanal has a fatty, green, grassy, powerful, penetrating characteristic fruity odor and taste (on dilution).

Occurrence

Reported found in some natural aromas of apple, strawberry, camphor oil, tea extracts, tobacco leaves, Eucalyptus globulus, dwarf pine, bitter orange and coffee. Also reported found in nearly 300 natural sources including apple, apricot, banana, sweet and sour cherry, citrus peel oils and juices, berries, guava, melon, raisins, peach, pear, papaya, pineapple, asparagus, cabbage, celery, carrot, lettuce, shallots, onion, leek, ginger, parsley, bread, cheeses, butter, milk, fish, meats, cocoa, coffee, tea, nuts, popcorn, potato chips, oat products, honey, soybean, plum, cauliflower, beetroot, celery root, figs, cardamom, coriander seed and leaf, brussel sprouts, rice, quince, radish, lovage, corn oil, laurel and malt

Uses

Hexanal is used in the flavor industry to prepare fruity flavors. It is utilized as a flavoring agent in the food industry. It is also used in Witting and aldol reactions.

Uses

Analgesic; antidepressant.

Uses

Hexanal occurs naturally inmany foods, such as in ripening fruits, or because of addition as a flavorant; it has an apple taste. It can also be produced in foods because of lipid peroxidation during cooking. It is mainly used as a food flavorant, in fragrances, and in the manufacture of dyes, plasticizers, synthetic resins, and pesticides. It is released to air and water during production or use for the manufacture of other products or during the use of these products themselves. It undergoes oxidation and polymerization readily.
Feron et al. identified hexanal in about 80 different types of food.

Definition

ChEBI: A fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde.

Preparation

Prepared from the calcium salt of caproic acid and formic acid

Aroma threshold values

Detection: 4.1 to 22.8 ppb; recognition: 400 ppb; aroma characteristics at 2.0%: green, fatty, leafy, vegetative, fruity and clean with a woody nuance

Taste threshold values

Taste characteristics at 2.5 ppm: green, woody, vegetative, apple, grassy, citrus and orange with a fresh, lingering aftertaste

Synthesis Reference(s)

Journal of the American Chemical Society, 93, p. 1693, 1971 DOI: 10.1021/ja00736a021

General Description

A clear colorless liquid with a pungent odor. Flash point 90°F. Less dense than water and insoluble in water. Vapors heavier than air.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Caproaldehyde is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. May attack some forms of plastics [USCG, 1999].

Hazard

Flammable, moderate fire risk.

Health Hazard

Ingestion causes irritation of mouth and stomach. Contact with vapor or liquid irritates eyes. Liquid irritates skin.

Fire Hazard

Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: May attack some plastics; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Hexanal Preparation Products And Raw materials

Raw materials

Preparation Products