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2-acetonyl pyrazine

2-Acetonyl pyrazine is a chemical compound recognized for its slight nutty aroma, primarily studied for informational purposes rather than use in fragrances or flavors.

General Material Description

2-Acetonyl pyrazine, also known by the IUPAC name 1-pyrazin-2-ylpropan-2-one, is an organic chemical compound with the molecular formula C7H8N2O. It belongs to the class of pyrazine derivatives and is characterized by a slight nutty, hazelnut-like aroma. This compound is recognized by various synonyms including 1-(pyrazin-2-yl)acetone and pyrazine, acetonyl. 2-Acetonyl pyrazine is documented in chemical databases such as PubChem. It is primarily obtained through chemical synthesis rather than natural extraction and serves mainly informational purposes as it is not employed directly in flavor or fragrance products.

Occurrence, Applicability & Potential Uses

2-Acetonyl pyrazine is not naturally abundant but is structurally related to compounds found in various foods that contribute to nutty and roasted aromas. It is principally noted for its sensory profile rather than broad industrial use. According to FEMA (US) flavor industry standards, it is not authorized for use in flavors or fragrances. Its primary application remains within research and informational contexts to understand pyrazine-related aroma compounds. Potential applications may arise from its nutty odor notes, but current regulatory frameworks do not endorse commercial use in consumer products.

Physico-Chemical Properties Summary

This compound exhibits a molecular weight of approximately 136.15 g/mol and has a molecular formula of C7H8N2O. Its boiling point lies between 223 and 224°C at standard atmospheric pressure (760 mm Hg), indicative of moderate volatility. The estimated octanol-water partition coefficient (log P) is about -0.12, suggesting slight hydrophilicity. Vapor pressure measured at 25°C is low, around 0.095 mm Hg, reflecting limited volatility under ambient conditions. Water solubility is relatively high, estimated at 271,700 mg/L at 25°C. A flash point reported at 197°F (approximately 92°C) implies it poses minimal flammability risks under normal handling conditions. These properties influence its behavior in formulation contexts, especially regarding volatility and solubility.

FAQ

What is 2-acetonyl pyrazine and what are its key characteristics?
2-Acetonyl pyrazine is an organic compound classified within the pyrazine chemical family, known for its slightly nutty and hazelnut-like aroma. It has the molecular formula C7H8N2O and a molecular weight of approximately 136.15 g/mol. The compound is primarily used for informational purposes and is recognized by various synonyms including 1-pyrazin-2-ylpropan-2-one. It exhibits moderate boiling point temperatures and notable water solubility, but it is not commonly utilized in fragrances or flavors.
Where does 2-acetonyl pyrazine occur and how is it applied?
While structurally related to natural pyrazine aroma compounds found in some foods, 2-acetonyl pyrazine itself is mainly synthesized chemically and is not typically found in natural sources at significant levels. It is not commonly applied in commercial flavor or fragrance products. Its primary role is within research settings or chemical information databases to study pyrazine compounds and their sensory properties.
How is 2-acetonyl pyrazine regulated and sourced for use?
2-Acetonyl pyrazine is classified under regulatory guidance such as FEMA (US) as not intended for use in flavors or fragrances. Safety data indicate no significant hazard classifications under OSHA guidelines, with undetermined toxicity parameters. It is generally restricted from commercial use in consumer products and is sourced mainly through chemical synthesis for research or informational purposes rather than direct application.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-pyrazin-2-ylpropan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):522284
Pubchem (sid):125607696
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View

General Material Information

Preferred name 2-acetonyl pyrazine
Trivial Name 1-pyrazin-2-ylpropan-2-one
Short Description 1-pyrazin-2-ylacetone
Formula C7 H8 N2 O
CAS Number 6784-62-9
FDA UNII Search
xLogP3-AA -0.60 (est)
NMR Predictor External link
Synonyms
  • acetonylprazine
  • 2-acetonylpyrazine
  • 2-propanone, 1-(2-pyrazinyl)-
  • 1-( pyrazin-2-yl) acetone
  • 1-( pyrazin-2-yl) propan-2-one
  • 1-( pyrazin-2-yl)acetone
  • 1-( pyrazin-2-yl)propan-2-one
  • 1-pyrazin-2-ylacetone
  • 1-pyrazin-2-ylpropan-2-one
  • pyrazine, acetonyl
  • 1-(2-pyrazinyl) propanone
  • 1-(2-pyrazinyl)propanone

Suppliers

BOC Sciences

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.15396118164
Boiling Point 223 to 224°C @ 760 mm Hg
Vapor Pressure 0.095 mmHg @ 25 °C
Flash Point TCC Value 91.6 °C TCC
logP (o/w) -0.12 est
Solubility
water, 2.717e+005 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Flavor Type: Nutty
nutty, hazelnut
General comment Slight nutty hazelnut

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 2-acetonyl pyrazine usage levels up to:
not for fragrance use.
Recommendation for 2-acetonyl pyrazine flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :522284
National Institute of Allergy and Infectious Diseases:Data
1-pyrazin-2-ylpropan-2-one