Pyrazine, 2-hexyl-3-methoxy
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Identifiers
Molecular formula
C11H18N2OSMILES
CCCCCCC1=NC=CN=C1OC
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Odor profile
Fragrance Green 74.66% Earthy 50.96% Nutty 39.9% Vegetable 38.93% Roasted 32.19% Fatty 27.89% Musty 27.51% Leafy 24.44% Herbal 23.74% Metallic 22.45% Flavor Green 62.27% Earthy 48.22% Pepper 45.45% Herbal 39.07% Musty 35.85% Fatty 35.66% Pea 31.75% Nutty 30.97% Earth 30.79% Mushroom 30.6% Odor impact est.
High -
Properties
XLogP3-AA
3.8pKa est.
6.13 (neutral)Molecular weight
194.27 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
300°CFlash point
- 129.1 ˚C est.
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Synonyms
- Pyrazine, 2-hexyl-3-methoxy
- 2-methoxy-3-hexylpyrazine
- CHEMBL320144
- SCHEMBL20873451
- GMDSOYPKWWYSJC-UHFFFAOYSA-N
- 2,7-Dibenzyl-1,8-diphenyl-2,7-octanediol
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Applications
Pyrazine, 2-hexyl-3-methoxy is primarily valued for its aroma and is typically used as an odorant and fragrance intermediate. In perfumery and fragrance formulations it serves as a scent component or fixative; in flavor applications it is evaluated as a flavor/aroma ingredient in processed foods, subject to regulatory limits; in cosmetics and personal care it may be used as a fragrance ingredient; in household products such as cleaners and air fresheners it contributes aroma; in industrial manufacturing it acts as an intermediate for synthesizing other pyrazine-based fragrance compounds; and in coatings and inks it may be added as a fragrance additive, depending on local regulations.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 3614.16 methanol 5229.61 isopropanol 2051.91 water 0.61 ethyl acetate 5565.13 n-propanol 2838.91 acetone 7390.89 n-butanol 2476.86 acetonitrile 5009.61 DMF 5663.32 toluene 1606.42 isobutanol 1983.19 1,4-dioxane 3089.79 methyl acetate 3666.07 THF 3525.38 2-butanone 4189.14 n-pentanol 1185.87 sec-butanol 1830.17 n-hexane 101.3 ethylene glycol 639.38 NMP 3481.61 cyclohexane 352.7 DMSO 8576.31 n-butyl acetate 3163.46 n-octanol 278.14 chloroform 9280.46 n-propyl acetate 2107.83 acetic acid 5544.41 dichloromethane 13035.86 cyclohexanone 6005.62 propylene glycol 697.35 isopropyl acetate 2377.69 DMAc 2669.98 2-ethoxyethanol 2032.81 isopentanol 1820.71 n-heptane 60.76 ethyl formate 3573.43 1,2-dichloroethane 9473.96 n-hexanol 1163.99 2-methoxyethanol 4849.42 isobutyl acetate 1022.71 tetrachloromethane 1253.35 n-pentyl acetate 1182.8 transcutol 5574.42 n-heptanol 361.69 ethylbenzene 469.35 MIBK 1438.8 2-propoxyethanol 2021.12 tert-butanol 2195.85 MTBE 2378.82 2-butoxyethanol 898.36 propionic acid 2767.97 o-xylene 724.87 formic acid 1728.91 diethyl ether 2773.59 m-xylene 808.47 p-xylene 672.0 chlorobenzene 3176.19 dimethyl carbonate 1225.78 n-octane 25.92 formamide 3101.92 cyclopentanone 5108.73 2-pentanone 3622.99 anisole 1028.57 cyclopentyl methyl ether 2312.39 gamma-butyrolactone 6083.48 1-methoxy-2-propanol 2620.02 pyridine 4704.96 3-pentanone 2345.28 furfural 4984.6 n-dodecane 19.81 diethylene glycol 1459.32 diisopropyl ether 521.24 tert-amyl alcohol 1847.17 acetylacetone 3869.9 n-hexadecane 24.45 acetophenone 1108.47 methyl propionate 3373.64 isopentyl acetate 2172.05 trichloroethylene 15273.12 n-nonanol 244.79 cyclohexanol 2142.32 benzyl alcohol 1141.46 2-ethylhexanol 629.36 isooctanol 315.88 dipropyl ether 793.39 1,2-dichlorobenzene 2450.68 ethyl lactate 597.65 propylene carbonate 3082.1 n-methylformamide 4195.05 2-pentanol 1346.3 n-pentane 120.28 1-propoxy-2-propanol 1406.42 1-methoxy-2-propyl acetate 1843.81 2-(2-methoxypropoxy) propanol 607.05 mesitylene 430.91 ε-caprolactone 4130.15 p-cymene 302.91 epichlorohydrin 7483.42 1,1,1-trichloroethane 6040.46 2-aminoethanol 1397.79 morpholine-4-carbaldehyde 2999.99 sulfolane 6365.2 2,2,4-trimethylpentane 92.27 2-methyltetrahydrofuran 3293.18 n-hexyl acetate 1192.12 isooctane 61.26 2-(2-butoxyethoxy)ethanol 1052.51 sec-butyl acetate 1157.85 tert-butyl acetate 1906.65 decalin 112.42 glycerin 977.24 diglyme 2304.67 acrylic acid 2492.1 isopropyl myristate 302.87 n-butyric acid 5259.31 acetyl acetate 2863.77 di(2-ethylhexyl) phthalate 320.5 ethyl propionate 1606.52 nitromethane 9713.69 1,2-diethoxyethane 2034.39 benzonitrile 2168.23 trioctyl phosphate 242.15 1-bromopropane 3688.87 gamma-valerolactone 6143.0 n-decanol 172.77 triethyl phosphate 412.45 4-methyl-2-pentanol 551.87 propionitrile 3115.75 vinylene carbonate 2850.15 1,1,2-trichlorotrifluoroethane 4642.35 DMS 1073.49 cumene 280.94 2-octanol 245.88 2-hexanone 1578.88 octyl acetate 431.07 limonene 525.1 1,2-dimethoxyethane 3000.77 ethyl orthosilicate 405.37 tributyl phosphate 375.41 diacetone alcohol 1656.77 N,N-dimethylaniline 520.81 acrylonitrile 4414.19 aniline 2326.56 1,3-propanediol 2216.68 bromobenzene 3581.75 dibromomethane 7472.74 1,1,2,2-tetrachloroethane 9584.76 2-methyl-cyclohexyl acetate 700.19 tetrabutyl urea 443.72 diisobutyl methanol 319.25 2-phenylethanol 1002.42 styrene 780.55 dioctyl adipate 455.67 dimethyl sulfate 1714.24 ethyl butyrate 1460.64 methyl lactate 1054.27 butyl lactate 772.1 diethyl carbonate 847.13 propanediol butyl ether 759.31 triethyl orthoformate 699.1 p-tert-butyltoluene 262.46 methyl 4-tert-butylbenzoate 620.95 morpholine 4133.96 tert-butylamine 1187.63 n-dodecanol 133.71 dimethoxymethane 2915.99 ethylene carbonate 2615.03 cyrene 633.45 2-ethoxyethyl acetate 1665.71 2-ethylhexyl acetate 1489.65 1,2,4-trichlorobenzene 2541.28 4-methylpyridine 4327.27 dibutyl ether 573.65 2,6-dimethyl-4-heptanol 319.25 DEF 4064.45 dimethyl isosorbide 1170.18 tetrachloroethylene 6178.19 eugenol 651.16 triacetin 821.26 span 80 576.49 1,4-butanediol 700.69 1,1-dichloroethane 7572.43 2-methyl-1-pentanol 1101.91 methyl formate 3435.07 2-methyl-1-butanol 1930.24 n-decane 33.71 butyronitrile 3428.45 3,7-dimethyl-1-octanol 364.4 1-chlorooctane 269.94 1-chlorotetradecane 91.76 n-nonane 32.6 undecane 24.42 tert-butylcyclohexane 93.08 cyclooctane 73.02 cyclopentanol 1735.19 tetrahydropyran 3841.8 tert-amyl methyl ether 1380.72 2,5,8-trioxanonane 1097.47 1-hexene 565.61 2-isopropoxyethanol 1139.92 2,2,2-trifluoroethanol 1518.07 methyl butyrate 2687.07 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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 |