4,5-epoxy-(E)-2-decenal
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Identifiers
Molecular formula
C10H16O2SMILES
CCCCC[C@@H]1[C@@H](O1)/C=C/C=O
Safety labels
Irritant -
Odor profile
Fragrance Citrus 56.53% Green 53.59% Metallic 47.49% Aldehydic 42.91% Fatty 40.76% Fresh 27.86% Meaty 25.02% Mushroom 21.64% Oily 21.43% Fruity 21.04% Flavor Green 54.23% Herbal 39.92% Oily 38.07% Fatty 37.53% Fresh 36.33% Waxy 31.89% Spicy 30.86% Floral 30.59% Fat 25.88% Sweet 23.86% Odor impact est.
Medium -
Properties
XLogP3-AA
2.0pKa est.
5.84 (weak acid)Molecular weight
168.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
260°CFlash point
- 110.6 ˚C est.
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Synonyms
- 4,5-epoxy-(E)-2-decenal
- SCHEMBL6275474
- 4,5-Epoxy-(E)-dec-2-enal
- HIOMEXREAUSUBP-NVETZNIKSA-N
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Applications
4,5-epoxy-(E)-2-decenal is primarily used as a fragrance ingredient in perfumery and cosmetics, acting as an odorant and potential fixative in formulations. It is also employed as a reactive intermediate in organic synthesis, where the epoxide group can undergo ring-opening and further functionalization to furnish a range of fragrance- or polymer-related derivatives. In industrial manufacturing, it can serve as a building block for epoxy-derived materials and specialty resins, contributing to crosslinking or functionalization steps. In household products, it can be used as an odor-active additive to impart or stabilize aroma profiles. Depending on regional regulations, it may be evaluated for other applications such as flavor formulations, but such use is formulation- and regulation-dependent.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1224.65 methanol 1203.81 isopropanol 699.92 water 0.08 ethyl acetate 980.36 n-propanol 713.78 acetone 1116.18 n-butanol 664.43 acetonitrile 797.34 DMF 636.85 toluene 285.71 isobutanol 446.08 1,4-dioxane 942.97 methyl acetate 760.71 THF 1499.92 2-butanone 852.62 n-pentanol 428.49 sec-butanol 478.53 n-hexane 37.17 ethylene glycol 157.84 NMP 394.44 cyclohexane 70.82 DMSO 1274.74 n-butyl acetate 563.86 n-octanol 78.73 chloroform 1677.84 n-propyl acetate 542.41 acetic acid 714.65 dichloromethane 1952.91 cyclohexanone 840.43 propylene glycol 241.94 isopropyl acetate 559.61 DMAc 497.59 2-ethoxyethanol 670.14 isopentanol 518.87 n-heptane 19.51 ethyl formate 417.85 1,2-dichloroethane 1284.16 n-hexanol 402.82 2-methoxyethanol 1047.51 isobutyl acetate 338.63 tetrachloromethane 160.63 n-pentyl acetate 195.24 transcutol 1978.3 n-heptanol 91.84 ethylbenzene 131.4 MIBK 415.84 2-propoxyethanol 723.46 tert-butanol 616.59 MTBE 637.27 2-butoxyethanol 254.67 propionic acid 452.39 o-xylene 124.64 formic acid 198.78 diethyl ether 931.65 m-xylene 164.37 p-xylene 152.61 chlorobenzene 380.35 dimethyl carbonate 167.96 n-octane 6.82 formamide 314.62 cyclopentanone 869.43 2-pentanone 728.64 anisole 330.34 cyclopentyl methyl ether 553.11 gamma-butyrolactone 852.75 1-methoxy-2-propanol 748.58 pyridine 980.27 3-pentanone 426.62 furfural 677.69 n-dodecane 6.62 diethylene glycol 560.29 diisopropyl ether 181.68 tert-amyl alcohol 385.48 acetylacetone 685.68 n-hexadecane 7.8 acetophenone 302.95 methyl propionate 553.74 isopentyl acetate 465.88 trichloroethylene 1886.1 n-nonanol 72.15 cyclohexanol 407.71 benzyl alcohol 323.36 2-ethylhexanol 178.85 isooctanol 82.03 dipropyl ether 258.21 1,2-dichlorobenzene 315.05 ethyl lactate 192.06 propylene carbonate 468.12 n-methylformamide 391.66 2-pentanol 379.01 n-pentane 39.11 1-propoxy-2-propanol 443.84 1-methoxy-2-propyl acetate 536.44 2-(2-methoxypropoxy) propanol 259.89 mesitylene 97.19 ε-caprolactone 671.89 p-cymene 75.27 epichlorohydrin 1368.98 1,1,1-trichloroethane 764.26 2-aminoethanol 348.09 morpholine-4-carbaldehyde 568.88 sulfolane 763.52 2,2,4-trimethylpentane 23.27 2-methyltetrahydrofuran 997.48 n-hexyl acetate 247.28 isooctane 23.55 2-(2-butoxyethoxy)ethanol 364.61 sec-butyl acetate 369.01 tert-butyl acetate 477.28 decalin 35.17 glycerin 268.0 diglyme 711.61 acrylic acid 340.93 isopropyl myristate 94.88 n-butyric acid 735.98 acetyl acetate 440.71 di(2-ethylhexyl) phthalate 92.07 ethyl propionate 389.29 nitromethane 1008.49 1,2-diethoxyethane 615.69 benzonitrile 373.11 trioctyl phosphate 57.94 1-bromopropane 740.4 gamma-valerolactone 958.55 n-decanol 52.88 triethyl phosphate 127.0 4-methyl-2-pentanol 208.65 propionitrile 606.55 vinylene carbonate 398.35 1,1,2-trichlorotrifluoroethane 726.47 DMS 286.53 cumene 82.64 2-octanol 57.12 2-hexanone 487.35 octyl acetate 104.16 limonene 109.89 1,2-dimethoxyethane 913.98 ethyl orthosilicate 127.32 tributyl phosphate 87.47 diacetone alcohol 465.96 N,N-dimethylaniline 169.98 acrylonitrile 650.12 aniline 359.82 1,3-propanediol 522.2 bromobenzene 431.13 dibromomethane 1243.37 1,1,2,2-tetrachloroethane 1279.1 2-methyl-cyclohexyl acetate 219.42 tetrabutyl urea 102.31 diisobutyl methanol 115.98 2-phenylethanol 285.89 styrene 203.13 dioctyl adipate 144.76 dimethyl sulfate 216.34 ethyl butyrate 336.21 methyl lactate 229.66 butyl lactate 168.22 diethyl carbonate 216.72 propanediol butyl ether 225.64 triethyl orthoformate 208.74 p-tert-butyltoluene 71.78 methyl 4-tert-butylbenzoate 160.68 morpholine 1306.19 tert-butylamine 371.69 n-dodecanol 41.1 dimethoxymethane 635.7 ethylene carbonate 364.74 cyrene 217.17 2-ethoxyethyl acetate 388.38 2-ethylhexyl acetate 320.06 1,2,4-trichlorobenzene 382.24 4-methylpyridine 702.51 dibutyl ether 167.91 2,6-dimethyl-4-heptanol 115.98 DEF 553.59 dimethyl isosorbide 389.87 tetrachloroethylene 755.86 eugenol 174.15 triacetin 269.45 span 80 188.58 1,4-butanediol 196.85 1,1-dichloroethane 1138.76 2-methyl-1-pentanol 346.83 methyl formate 259.73 2-methyl-1-butanol 409.71 n-decane 10.17 butyronitrile 654.59 3,7-dimethyl-1-octanol 125.83 1-chlorooctane 62.31 1-chlorotetradecane 25.04 n-nonane 9.15 undecane 7.94 tert-butylcyclohexane 32.32 cyclooctane 18.93 cyclopentanol 401.72 tetrahydropyran 1130.19 tert-amyl methyl ether 347.02 2,5,8-trioxanonane 416.27 1-hexene 223.58 2-isopropoxyethanol 448.2 2,2,2-trifluoroethanol 161.79 methyl butyrate 539.19 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 |