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2-Nonanone

2-Nonanone structure

2-Nonanone 

structure
  • CAS No:

    821-55-6

  • Formula:

    C9H18O

  • Chemical Name:

    2-Nonanone

  • Synonyms:

    2-Nonanone;Methyl heptyl ketone;Heptyl methyl ketone;Methyl n-heptyl ketone;NSC 14760

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

2-Nonanone has a characteristic rue odor. It has a rose and tea-like flavor. Clear slightly yellow liquid


Methyl heptyl ketone is a colorless liquid. (USCG, 1999)|Liquid|colourless to pale yellow liquid with a fruity, floral, fatty, herbaceous odour


Methyl heptyl ketone is a colorless liquid. (USCG, 1999)|Nonan-2-one is a methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a nonane.

2-Nonanone Basic Attributes

142.24

142.24

1743645

212-480-0

ZE5K73YN2Z

14760

1224

DTXSID2022125

29141990

Characteristics

17.07000

3.03

Clear slightly yellow Liquid

0.8188 g/cm3 @ Temp: 22 °C

-7.5 °C

195.3 °C

151 °F

1.417

H2O: ca 0.5 g/L

Store below +30°C.

1.6 mm Hg (USCG, 1999)

LD50 orl-rat: 3200 mg/kg KODAK* -,-,71

1.22e-11 cm3/molecule*sec

3.67e-04 atm-m3/mole

Highly flammable. Water insoluble.

Ketones

Highly Flammable

Ketones, such as METHYL HEPTYL KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Safety Information

I; II; III

1993

1

36/37/38-36-20

26-36-39

RA8225000

Xi,Xn

Stable under normal temperatures and pressures.

P305 + P351 + P338

H315-H319-H412

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: 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. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1662 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Extinguishing Agents Not to Be Used: Water may be ineffective. Fire Extinguishing Agents: Water spray, carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)

Drug Information

May be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)

INHALATION: Call for medical aid. If not breathing give artificial respiration. If breathing is difficult give oxygen. SKIN: Wash with soap and copious amounts of water. EYES: Flush with copious amounts of water for at least 15 minutes. (USCG, 1999)

2-nonanone

2-Nonanone Use and Manufacturing

Methods of Manufacturing

It is formed by oxidation of methyl heptyl alcohol with chromic acid at room temperature.

Uses

GB 2760-1996 stipulates the allowable food flavors.

2-Nonanone: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Flavoring Agents

Computed Properties

Molecular Weight:142.24
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:142.135765193
Monoisotopic Mass:142.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:86.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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