Non-5-en-4-one
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Identifiers
Molecular formula
C9H16OSMILES
CCCC=CC(=O)CCC
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Odor profile
Fragrance Fruity 85.7% Herbal 63.42% Green 63.09% Earthy 61.27% Mushroom 55.02% Sweet 54.75% Ketonic 53.07% Cheesy 52.68% Metallic 47.97% Fatty 45.88% Flavor Fruity 60.89% Sweet 36.69% Green 35.03% Fatty 32.11% Herbal 32.1% Mushroom 30.53% Ethereal 27.77% Earthy 27.04% Nut 25.71% Cheese 25.21% Odor impact est.
High -
Properties
XLogP3-AA
2.6pKa est.
8.48 (weak base)Molecular weight
140.22 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
FastBoiling point est.
187°CFlash point
- 66.97 ˚C est.
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Applications
Non-5-en-4-one is primarily used as an intermediate in the synthesis of aroma chemicals for the fragrance industry. It may be used as a fragrance ingredient or odorant in perfumery and cosmetics. It can also serve as a chemical intermediate in the synthesis of flavor/aroma compounds. In industrial manufacturing, it is used as a precursor to develop other specialty chemicals. It may be employed as a fragrance additive in household cleaners and cleaning products, depending on formulation and regulatory constraints.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 4800.44 methanol 4516.2 isopropanol 4468.39 water 0.76 ethyl acetate 3089.81 n-propanol 3943.96 acetone 5535.82 n-butanol 4099.77 acetonitrile 3749.47 DMF 4741.88 toluene 1522.97 isobutanol 3286.08 1,4-dioxane 3621.67 methyl acetate 2213.95 THF 5697.02 2-butanone 3259.0 n-pentanol 2415.01 sec-butanol 3529.39 n-hexane 2482.66 ethylene glycol 508.84 NMP 3510.45 cyclohexane 2901.28 DMSO 3650.59 n-butyl acetate 3898.13 n-octanol 1560.9 chloroform 8410.83 n-propyl acetate 1877.55 acetic acid 3411.66 dichloromethane 6763.5 cyclohexanone 5524.44 propylene glycol 897.55 isopropyl acetate 1828.08 DMAc 2107.14 2-ethoxyethanol 1486.35 isopentanol 3247.74 n-heptane 1354.26 ethyl formate 1891.48 1,2-dichloroethane 4072.13 n-hexanol 3966.77 2-methoxyethanol 2807.6 isobutyl acetate 1119.29 tetrachloromethane 1671.15 n-pentyl acetate 1711.8 transcutol 4908.45 n-heptanol 1305.12 ethylbenzene 950.34 MIBK 1670.56 2-propoxyethanol 2924.32 tert-butanol 4474.44 MTBE 3304.52 2-butoxyethanol 1418.7 propionic acid 2462.88 o-xylene 789.84 formic acid 598.38 diethyl ether 3759.31 m-xylene 946.13 p-xylene 1180.08 chlorobenzene 2464.59 dimethyl carbonate 609.3 n-octane 419.28 formamide 779.68 cyclopentanone 4659.82 2-pentanone 3348.53 anisole 1326.4 cyclopentyl methyl ether 3011.96 gamma-butyrolactone 4241.19 1-methoxy-2-propanol 2237.72 pyridine 4192.05 3-pentanone 1945.44 furfural 2908.99 n-dodecane 245.1 diethylene glycol 1348.3 diisopropyl ether 1155.78 tert-amyl alcohol 3146.27 acetylacetone 2363.32 n-hexadecane 282.77 acetophenone 1150.39 methyl propionate 1793.28 isopentyl acetate 2839.55 trichloroethylene 6962.58 n-nonanol 1244.9 cyclohexanol 3998.45 benzyl alcohol 1116.39 2-ethylhexanol 2204.16 isooctanol 1008.0 dipropyl ether 2569.19 1,2-dichlorobenzene 1854.26 ethyl lactate 603.34 propylene carbonate 2409.14 n-methylformamide 2183.61 2-pentanol 2977.31 n-pentane 1738.48 1-propoxy-2-propanol 2441.0 1-methoxy-2-propyl acetate 1697.11 2-(2-methoxypropoxy) propanol 1101.16 mesitylene 651.63 ε-caprolactone 3566.45 p-cymene 686.55 epichlorohydrin 4040.23 1,1,1-trichloroethane 4482.33 2-aminoethanol 1232.57 morpholine-4-carbaldehyde 2559.34 sulfolane 4266.04 2,2,4-trimethylpentane 417.66 2-methyltetrahydrofuran 4984.94 n-hexyl acetate 2499.7 isooctane 402.01 2-(2-butoxyethoxy)ethanol 1581.68 sec-butyl acetate 1156.08 tert-butyl acetate 1674.56 decalin 711.31 glycerin 891.9 diglyme 2605.29 acrylic acid 1795.93 isopropyl myristate 885.84 n-butyric acid 4568.49 acetyl acetate 1397.89 di(2-ethylhexyl) phthalate 616.49 ethyl propionate 1413.03 nitromethane 3550.72 1,2-diethoxyethane 2416.18 benzonitrile 2252.09 trioctyl phosphate 529.71 1-bromopropane 3900.28 gamma-valerolactone 4087.2 n-decanol 865.45 triethyl phosphate 591.02 4-methyl-2-pentanol 1301.11 propionitrile 3110.67 vinylene carbonate 2085.37 1,1,2-trichlorotrifluoroethane 2566.06 DMS 1098.81 cumene 618.03 2-octanol 1070.48 2-hexanone 2416.19 octyl acetate 1090.44 limonene 1398.87 1,2-dimethoxyethane 3267.75 ethyl orthosilicate 619.32 tributyl phosphate 703.56 diacetone alcohol 1542.02 N,N-dimethylaniline 926.72 acrylonitrile 2960.91 aniline 1810.27 1,3-propanediol 1818.19 bromobenzene 2745.97 dibromomethane 5462.03 1,1,2,2-tetrachloroethane 5691.9 2-methyl-cyclohexyl acetate 1212.63 tetrabutyl urea 889.28 diisobutyl methanol 1048.6 2-phenylethanol 1316.42 styrene 1356.97 dioctyl adipate 1031.35 dimethyl sulfate 874.29 ethyl butyrate 1833.59 methyl lactate 737.91 butyl lactate 1083.31 diethyl carbonate 1013.3 propanediol butyl ether 1413.33 triethyl orthoformate 1070.85 p-tert-butyltoluene 638.39 methyl 4-tert-butylbenzoate 984.45 morpholine 4920.43 tert-butylamine 3656.39 n-dodecanol 653.06 dimethoxymethane 2041.3 ethylene carbonate 1830.97 cyrene 743.23 2-ethoxyethyl acetate 1510.87 2-ethylhexyl acetate 2160.46 1,2,4-trichlorobenzene 1893.77 4-methylpyridine 4031.81 dibutyl ether 2308.5 2,6-dimethyl-4-heptanol 1048.6 DEF 3041.04 dimethyl isosorbide 1582.38 tetrachloroethylene 3716.0 eugenol 950.46 triacetin 1361.57 span 80 1303.17 1,4-butanediol 743.24 1,1-dichloroethane 5349.1 2-methyl-1-pentanol 1932.78 methyl formate 1459.71 2-methyl-1-butanol 2942.77 n-decane 463.72 butyronitrile 4689.1 3,7-dimethyl-1-octanol 1376.71 1-chlorooctane 1339.12 1-chlorotetradecane 481.78 n-nonane 545.93 undecane 322.74 tert-butylcyclohexane 629.52 cyclooctane 683.88 cyclopentanol 3591.87 tetrahydropyran 6229.32 tert-amyl methyl ether 2104.68 2,5,8-trioxanonane 1623.75 1-hexene 4084.22 2-isopropoxyethanol 1202.51 2,2,2-trifluoroethanol 682.23 methyl butyrate 2359.36 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 |