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2-Tridecanone

2-Tridecanone structure

2-Tridecanone 

structure
  • CAS No:

    593-08-8

  • Formula:

    C13H26O

  • Chemical Name:

    2-Tridecanone

  • Synonyms:

    2-Tridecanone;Methyl undecyl ketone;Tridecanone-2;NSC 14763

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

white to slightly yellow crystalline solid 2-Tridecanone has a warm, oily, herbaceous odor reminiscent of nut.


2-tridecanone is a white crystalline solid. (NTP, 1992)|Solid|white to waxy mass or crystalline leaves with a milky, herbaceous, slightly spicy odour


2-tridecanone is a white crystalline solid. (NTP, 1992)|Tridecan-2-one is a methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite and a flavouring agent. It derives from a hydride of a tridecane.

2-Tridecanone Basic Attributes

198.34

198.34

1757402

209-784-0

5Q35VHX26K

14763

DTXSID4022070

29141900

Characteristics

17.1

5.2

2-tridecanone is a white crystalline solid. (NTP, 1992)

0.8217 at 86° F (NTP, 1992)

30.5 °C

263 °C

>230 °F

1.432

less than 1 mg/mL at 73° F (NTP, 1992)

Store below +30°C.

1 mm Hg at 188.2° F ; 20 mm Hg at 298.0° F (NTP, 1992)

Insoluble in water.

Ketones

Ketones, such as 2-TRIDECANONE, 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

9

UN30779/PG3

2

50

23-24/25-61

N

Stable. Combustible. Incompatible with strong oxidizing agents.

P273

H400

This chemical is combustible. (NTP, 1992)

|Warning|H400 (97.68%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 1593 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

2-tridecanone

2-Tridecanone Use and Manufacturing

Methods of Manufacturing

It is formed by heating a mixture of lauric acid and acetic acid to 450°C through a thorium oxide catalyst.

Uses

GB 2760-1996 stipulates the permitted food spices. Used in flavors such as mushrooms, coconut, jackfruit, chicken, cheese, and smoked pork.

2-Tridecanone: ACTIVE

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

Flavoring Agents

Computed Properties

Molecular Weight:198.34
XLogP3:5.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:10
Exact Mass:198.198365449
Monoisotopic Mass:198.198365449
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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