2-Acetyl-3,(5 or 6)-dimethylpyrazine
-
Identifiers
Molecular formula
C8H11N2O+SMILES
CC1=C[N+](=CC(=N1)C)C(=O)C
-
Odor profile
Fragrance Roasted 72.24% Nutty 69.86% Hazelnut 52.24% Popcorn 50.83% Burnt 45.19% Earthy 41.35% Coffee 40.79% Musty 40.72% Cocoa 38.4% Meaty 38.19% Flavor Nutty 38.08% Cocoa 32.87% Roasted 32.02% Musty 31.99% Woody 29.33% Burnt 28.83% Sweet 28.66% Popcorn 27.55% Phenolic 25.52% Powdery 25.09% Odor impact est.
High -
Properties
XLogP3-AA
0.6pKa est.
5.7 (weak acid)Molecular weight
151.19 g/molFlash point
- 98.62 ˚C est.
Solubility expt.
- soluble in water, organic solvents, oils
- miscible at room temperature (in ethanol)
-
Synonyms
- EINECS 276-848-2
- UNII-O16657H2TP
- O16657H2TP
- Ethanone, 1-(3,?-dimethylpyrazinyl)-
- 2-Acetyl-3,(5 or 6)-dimethylpyrazine
- Ethanone, 1-(3,?-dimethyl-2-pyrazinyl)-
- SCHEMBL3508538
-
Applications
2-Acetyl-3,(5 or 6)-dimethylpyrazine is primarily used as an aroma and flavor agent, commonly evaluated in fragrance and flavor applications to impart roasted, nutty, or coffee-like notes; it is also used as a component in cosmetics and personal care products as an aroma ingredient, and may serve as an intermediate in organic synthesis for the preparation of other pyrazine derivatives; additionally, in some industrial formulations it can act as an odorant or aroma booster for household products or coatings, subject to local regulations and formulation limits.
gpt-5-nano
-
Solubility @25˚C
Solvent Solubility (g/L) ethanol 180.35 methanol 351.68 isopropanol 126.49 water 30.82 ethyl acetate 100.78 n-propanol 150.29 acetone 118.47 n-butanol 129.17 acetonitrile 89.57 DMF 330.56 toluene 56.06 isobutanol 115.51 1,4-dioxane 177.58 methyl acetate 111.94 THF 186.75 2-butanone 117.86 n-pentanol 80.25 sec-butanol 125.73 n-hexane 10.73 ethylene glycol 125.64 NMP 287.49 cyclohexane 7.8 DMSO 272.82 n-butyl acetate 59.17 n-octanol 48.86 chloroform 226.44 n-propyl acetate 41.84 acetic acid 101.27 dichloromethane 264.14 cyclohexanone 139.55 propylene glycol 108.12 isopropyl acetate 53.35 DMAc 374.86 2-ethoxyethanol 142.4 isopentanol 96.66 n-heptane 7.67 ethyl formate 112.17 1,2-dichloroethane 134.11 n-hexanol 86.24 2-methoxyethanol 311.63 isobutyl acetate 32.87 tetrachloromethane 42.31 n-pentyl acetate 46.89 transcutol 152.32 n-heptanol 44.19 ethylbenzene 33.19 MIBK 58.42 2-propoxyethanol 173.79 tert-butanol 116.88 MTBE 94.27 2-butoxyethanol 83.69 propionic acid 99.07 o-xylene 48.34 formic acid 134.87 diethyl ether 83.26 m-xylene 47.08 p-xylene 44.25 chlorobenzene 76.71 dimethyl carbonate 57.37 n-octane 4.56 formamide 101.65 cyclopentanone 162.29 2-pentanone 87.62 anisole 72.69 cyclopentyl methyl ether 99.79 gamma-butyrolactone 190.06 1-methoxy-2-propanol 194.92 pyridine 111.91 3-pentanone 76.95 furfural 238.32 n-dodecane 4.67 diethylene glycol 175.45 diisopropyl ether 24.6 tert-amyl alcohol 113.93 acetylacetone 98.35 n-hexadecane 5.19 acetophenone 69.27 methyl propionate 102.34 isopentyl acetate 57.11 trichloroethylene 207.89 n-nonanol 40.26 cyclohexanol 89.0 benzyl alcohol 76.89 2-ethylhexanol 49.32 isooctanol 36.91 dipropyl ether 38.39 1,2-dichlorobenzene 81.83 ethyl lactate 50.4 propylene carbonate 115.54 n-methylformamide 175.06 2-pentanol 71.27 n-pentane 10.34 1-propoxy-2-propanol 96.61 1-methoxy-2-propyl acetate 75.46 2-(2-methoxypropoxy) propanol 72.07 mesitylene 29.09 ε-caprolactone 137.97 p-cymene 28.7 epichlorohydrin 209.91 1,1,1-trichloroethane 97.88 2-aminoethanol 161.61 morpholine-4-carbaldehyde 274.77 sulfolane 233.55 2,2,4-trimethylpentane 8.93 2-methyltetrahydrofuran 148.3 n-hexyl acetate 66.24 isooctane 5.25 2-(2-butoxyethoxy)ethanol 82.38 sec-butyl acetate 33.66 tert-butyl acetate 52.43 decalin 10.11 glycerin 174.95 diglyme 146.42 acrylic acid 93.68 isopropyl myristate 25.6 n-butyric acid 114.28 acetyl acetate 59.7 di(2-ethylhexyl) phthalate 38.85 ethyl propionate 51.65 nitromethane 157.52 1,2-diethoxyethane 60.23 benzonitrile 88.9 trioctyl phosphate 27.14 1-bromopropane 87.49 gamma-valerolactone 232.16 n-decanol 30.24 triethyl phosphate 35.32 4-methyl-2-pentanol 40.91 propionitrile 93.87 vinylene carbonate 126.47 1,1,2-trichlorotrifluoroethane 181.3 DMS 66.77 cumene 28.08 2-octanol 34.32 2-hexanone 51.77 octyl acetate 35.85 limonene 36.84 1,2-dimethoxyethane 182.61 ethyl orthosilicate 34.52 tributyl phosphate 30.91 diacetone alcohol 83.52 N,N-dimethylaniline 61.18 acrylonitrile 116.9 aniline 82.57 1,3-propanediol 174.02 bromobenzene 72.82 dibromomethane 164.59 1,1,2,2-tetrachloroethane 174.43 2-methyl-cyclohexyl acetate 44.4 tetrabutyl urea 42.85 diisobutyl methanol 28.16 2-phenylethanol 71.87 styrene 35.99 dioctyl adipate 36.85 dimethyl sulfate 109.71 ethyl butyrate 43.5 methyl lactate 84.97 butyl lactate 48.48 diethyl carbonate 36.34 propanediol butyl ether 81.53 triethyl orthoformate 38.1 p-tert-butyltoluene 28.22 methyl 4-tert-butylbenzoate 66.18 morpholine 181.37 tert-butylamine 72.82 n-dodecanol 23.24 dimethoxymethane 171.02 ethylene carbonate 100.08 cyrene 88.17 2-ethoxyethyl acetate 63.37 2-ethylhexyl acetate 46.77 1,2,4-trichlorobenzene 95.66 4-methylpyridine 138.72 dibutyl ether 36.86 2,6-dimethyl-4-heptanol 28.16 DEF 144.3 dimethyl isosorbide 111.9 tetrachloroethylene 120.88 eugenol 74.48 triacetin 53.07 span 80 56.73 1,4-butanediol 82.54 1,1-dichloroethane 122.2 2-methyl-1-pentanol 74.37 methyl formate 147.17 2-methyl-1-butanol 111.28 n-decane 7.24 butyronitrile 97.66 3,7-dimethyl-1-octanol 44.75 1-chlorooctane 27.46 1-chlorotetradecane 12.5 n-nonane 7.21 undecane 5.67 tert-butylcyclohexane 10.79 cyclooctane 3.9 cyclopentanol 105.25 tetrahydropyran 108.89 tert-amyl methyl ether 84.94 2,5,8-trioxanonane 103.44 1-hexene 31.65 2-isopropoxyethanol 83.93 2,2,2-trifluoroethanol 74.77 methyl butyrate 67.62 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |