| Identification | More | [Name]
Caproaldehyde | [CAS]
66-25-1 | [Synonyms]
1-HEXANAL
1-HEXYLALDEHYDE
ALDEHYDE C-6
CAPROALDEHYDE
CAPROIC ALDEHYDE
CAPRONALDEHYDE
FEMA 2557
HEXALDEHYDE
HEXANAL
HEXYL ALDEHYDE
N-C6 ALDEHYDE
N-CAPRONALDEHYDE
N-HEXALDEHYDE
N-HEXANAL
N-HEXYLALDEHYDE
1-pentanecarbaldehyde
butacetin
Capronaldehyd
femanumber2557
hexan-1-al | [EINECS(EC#)]
200-624-5 | [Molecular Formula]
C6H12O | [MDL Number]
MFCD00007027 | [Molecular Weight]
100.16 | [MOL File]
66-25-1.mol |
| Chemical Properties | Back Directory | [Appearance]
liquid | [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)
| [FEMA ]
2557 | [refractive index ]
n20/D 1.4035(lit.)
| [Fp ]
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℃) | [Stability:]
Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents. | [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 | [LogP]
1.97 | [CAS DataBase Reference]
66-25-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanal(66-25-1) | [EPA Substance Registry System]
66-25-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1207 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
MN7175000
| [F ]
13 | [Autoignition Temperature]
220 °C | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29121900 | [Hazardous Substances Data]
66-25-1(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 4.89 g/kg (Smyth) |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
HEXALDEHYDE(66-25-1) 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]. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [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. | [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]
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).
| [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. | [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]
Analgesic; antidepressant. | [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]
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 | [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. |
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