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2-methyl-3-isopropyl quinoxaline

2-methyl-3-isopropyl quinoxaline is a bitter-flavored heterocyclic compound with molecular formula C12H14N2 and is mainly referenced for information purposes.

General Material Description

2-methyl-3-isopropyl quinoxaline is a heterocyclic organic compound characterized by a quinoxaline ring substituted with methyl and isopropyl groups at the 2 and 3 positions respectively. It exhibits a molecular formula of C12H14N2 and a molecular weight of approximately 186.26 g/mol. This compound features a bitter flavor note, described in sensory evaluations as astringent. Synonyms include 2-isopropyl-3-methylquinoxaline and variations such as 2-iso propyl-3-methyl quinoxaline. It is mainly referenced in chemical databases such as PubChem for research purposes. Natural occurrence is not reported, and the compound is generally obtained via synthetic routes in laboratory settings.

Occurrence, Applicability & Potential Uses

This compound does not have a known natural biological occurrence and is primarily of academic and informational interest. It is not formulated for use in fragrances or flavors and thus lacks applications in sensory products. Relevant regulatory classifications such as those from REACH (EU) do not specify usage parameters owing to the compound’s informational status. The compound’s features might interest chemical research focused on quinoxaline derivatives, but it is not applied in consumer-facing products.

Physico-Chemical Properties Summary

2-methyl-3-isopropyl quinoxaline has a boiling point range of 273 to 274°C measured at standard atmospheric pressure, indicating high thermal stability. Its vapor pressure at 25°C is very low, approximately 0.0099 mmHg, reflecting limited volatility under ambient conditions. The estimated logP value of 3.09 suggests moderate hydrophobicity, which affects its solubility and interaction in formulation matrices. It is soluble in alcohol and has limited water solubility estimated at 111.2 mg/L at 25°C, confirming partial miscibility with aqueous phases. The compound’s flash point is relatively high at 226°F (approximately 108°C), indicating a reduced flammability hazard at room temperature.

FAQ

What is 2-methyl-3-isopropyl quinoxaline?
2-methyl-3-isopropyl quinoxaline is a synthetic heterocyclic compound containing a quinoxaline core substituted with methyl and isopropyl groups. It is known for its bitter and astringent flavor profile but is not used commercially in fragrances or flavorings. The compound is primarily referenced in chemical literature and databases for research and informational purposes.
Where does 2-methyl-3-isopropyl quinoxaline occur and how is it used?
This compound does not naturally occur in biological systems and is produced synthetically in laboratory environments. It is not applied in consumer products such as fragrances or flavors due to lack of formulation uses and safety data for these applications. Its primary role remains within chemical research focusing on quinoxaline derivatives.
Are there any regulatory considerations or safety guidelines for 2-methyl-3-isopropyl quinoxaline?
Currently, no specific hazard classifications or precautionary statements are documented under OSHA’s Hazard Communication Standard or other major regulatory frameworks such as REACH (EU). Safety data remains incomplete for oral, dermal, and inhalation toxicity. Use recommendations specify that it is not intended for fragrance or flavor use, reflecting caution in handling. Available references provide information without prescribing commercial application limits.

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

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Literature & References

2-isopropyl-3-methylquinoxaline
NIST Chemistry WebBook:Search Inchi
Pubchem (cas):NF0063
Publications by Google Patents
Flavoring agent
Publications by US Patents
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines

General Material Information

Preferred name 2-methyl-3-isopropyl quinoxaline
Trivial Name 2-isopropyl-3-methylquinoxaline
Formula C12 H14 N2
NMR Predictor External link
Synonyms
  • 2-methyl-3-isopropylquinoxaline
  • 2-iso propyl-3-methyl quinoxaline
  • 2-iso propyl-3-methylquinoxaline

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.25758361816
Boiling Point 273 to 274°C @ 760 mm Hg
Vapor Pressure 0.0099 mmHg @ 25 °C
Flash Point TCC Value 108 °C TCC
logP (o/w) 3.09 est
Solubility
alcohol Yes
water, 111.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Bitter
bitter, astringent
General comment Bitter astringent

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-methyl-3-isopropyl quinoxaline usage levels up to:
not for fragrance use.
Recommendation for 2-methyl-3-isopropyl quinoxaline flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
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Toxicology Citations:Search
2-isopropyl-3-methylquinoxaline