Octanal Property

Melting point:

12-15 °C(lit.)

Boiling point:

171 °C(lit.)

Density 

0.822 g/mL at 20 °C

vapor pressure 

2 mm Hg ( 20 °C)

refractive index 

n20/D 1.421(lit.)

FEMA 

2797 | OCTANAL

Flash point:

125 °F

storage temp. 

Store below +30°C.

solubility 

0.21g/l

form 

Liquid

color 

Clear colorless to pale yellow

Odor

fatty-orange odor

explosive limit

1.0-6.5%(V)

Odor Threshold

0.00001ppm

Odor Type

aldehydic

Water Solubility 

slightly soluble

Sensitive 

Air Sensitive

JECFA Number

98

Merck 

14,1766

BRN 

1744086

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.

InChIKey

NUJGJRNETVAIRJ-UHFFFAOYSA-N

LogP

3.5 at 20℃

CAS DataBase Reference

124-13-0(CAS DataBase Reference)

NIST Chemistry Reference

Octanal(124-13-0)

EPA Substance Registry System

Octanal (124-13-0)

Safety

Risk Statements 

10

Safety Statements 

16

RIDADR 

UN 1191 3/PG 3

WGK Germany 

2

RTECS 

RG7780000

F 

10

Autoignition Temperature

190 °C

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29121990

Hazardous Substances Data

124-13-0(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P273Avoid release to the environment.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Octanal Chemical Properties,Usage,Production

Description

May be prepared by oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octanoate.

Chemical Properties

n-Octanal has a fatty, citrus, honey odor on dilution.

Chemical Properties

Octanal occurs in several citrus oils, for example, orange oil. It is a colorless liquid with a pungent odor, which becomes citrus-like on dilution. Octanal is used in perfumery in low concentrations, in eau de cologne, and in artificial citrus oils.

Occurrence

Reported found in the essential oils of sweet orange, bitter orange, mandarin, tangerine, grapefruit, Mexican lime, lemon, Taiwan citronella, rose, lemongrass, Pinus sabiniana, Pinus jefferyi, Xanthoxylum rhetsa, lime petitgrain, clary sage, lavandin, and others. Also reported in over 180 foods and beverages including apple, apricot, many berries, guava, grapes, melon, papaya, celery, peas, potato, potato chips, tomato, ginger, spearmint oil, cheeses, butter, milk, cooked egg, fish and fish oil, meats, hop oil, beer, rum, cider, white wine, cocoa, tea, roasted filberts and peanuts, pecans, oats, coconut products, soybean, avocado, passion fruit, starfruit, beans, mushroom, trassi, macadamia nut, sesame seed, mango, cauliflower, tamarind, fig, calamus, rice, sweet potato, dill, lovage, caraway seed, corn oil, corn tortillas, loquat, shrimp, lobster, oyster, crab, crayfish, clam, maté, angelica root oil and mastic gum oil.

Uses

Octanal is an aromatic aldehyde often found in citrus oils. It is used commercially as a component in perfumes and in flavor production for the food industry.

Preparation

By oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octoate.

Definition

ChEBI: A fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).

Aroma threshold values

Detection: 1.4 to 6.4 ppb

Taste threshold values

Taste characteristics at 25 ppm: aldehyde, green with a peely, citrus, orange note.

Synthesis Reference(s)

Journal of the American Chemical Society, 99, p. 3837, 1977 DOI: 10.1021/ja00453a053
Journal of Heterocyclic Chemistry, 29, p. 257, 1992 DOI: 10.1002/jhet.5570290148
Tetrahedron Letters, 36, p. 2247, 1995 DOI: 10.1016/0040-4039(95)00262-B

General Description

Colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125°F. Used in making perfumes and flavorings.

Air & Water Reactions

Flammable. Insoluble in water.

Reactivity Profile

OCTYL ALDEHYDES are aldehydes. 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.

Health Hazard

Inhalation may be irritating to mucous membrane; overexposure may cause dizziness and collapse. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation.

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.

Flammability and Explosibility

Flammable

Safety Profile

Mildly toxic by ingestion and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat, sparks, or flame. Can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. See also ALDEHYDES.

Metabolism

Aldehydes C-8, C-10, C-12 and C-14 (myristic), the lower unsubstituted aliphatic aldehydes, are readily oxidized in the animal body to the corresponding fatty acids, which normally undergo oxidation and are eventially oxidized to carbon dioxide and water.