Methyl pent-2-enoate
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Identifiers
Molecular formula
C6H10O2SMILES
CCC=CC(=O)OC
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Odor profile
Fragrance Fruity 97.39% Green 78.82% Apple 60.88% Ethereal 59.8% Sweet 53.17% Pineapple 51.79% Sharp 50.57% Pungent 50.03% Rummy 49.21% Banana 46.33% Flavor Fruity 74.26% Green 38.65% Pungent 38.01% Fatty 28.46% Tropical 28.22% Berry 27.88% Apple 27.36% Ethereal 27.08% Sweet 26.51% Pineapple 25.97% Odor impact est.
High -
Properties
XLogP3-AA
1.4pKa est.
7.77 (neutral)Molecular weight
114.14 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra fastBoiling point est.
141°CFlash point
- 32.44 ˚C est.
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Synonyms
- methyl pent-2-enoate
- methyl pentenoate
- METHYL2-PENTENOATE
- methyl trans-2-pentenoate
- methoxycarbonylbutene
- 2-pentenoic acid methyl ester
- SCHEMBL690239
- MBAHGFJTIVZLFB-UHFFFAOYSA-N
- DTXSID701002230
- AAA81859
- AKOS028113499
- DB-127843
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Applications
Methyl pent-2-enoate is primarily used as an organic synthesis intermediate and as a vinyl monomer for copolymers and specialty polymers, enabling polymerization to formulate coatings, inks, and adhesive systems. It also serves as a precursor in fragrance and flavor chemistry, where it can be converted to aroma-related derivatives, and it is used as a building block in the synthesis of agrochemical and pharmaceutical intermediates under appropriate conditions.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 431.17 methanol 519.21 isopropanol 350.15 water 1.38 ethyl acetate 149.33 n-propanol 318.74 acetone 252.5 n-butanol 319.62 acetonitrile 279.93 DMF 675.47 toluene 136.1 isobutanol 244.0 1,4-dioxane 426.29 methyl acetate 215.16 THF 375.68 2-butanone 233.69 n-pentanol 242.57 sec-butanol 332.88 n-hexane 40.48 ethylene glycol 134.92 NMP 457.82 cyclohexane 71.7 DMSO 459.18 n-butyl acetate 196.4 n-octanol 169.17 chloroform 850.41 n-propyl acetate 128.36 acetic acid 353.3 dichloromethane 752.1 cyclohexanone 330.98 propylene glycol 160.29 isopropyl acetate 88.46 DMAc 450.33 2-ethoxyethanol 273.28 isopentanol 241.97 n-heptane 34.32 ethyl formate 198.05 1,2-dichloroethane 378.87 n-hexanol 255.5 2-methoxyethanol 445.31 isobutyl acetate 82.67 tetrachloromethane 136.76 n-pentyl acetate 130.51 transcutol 565.14 n-heptanol 138.98 ethylbenzene 109.53 MIBK 104.48 2-propoxyethanol 305.45 tert-butanol 392.99 MTBE 200.95 2-butoxyethanol 206.55 propionic acid 261.94 o-xylene 121.69 formic acid 139.33 diethyl ether 162.63 m-xylene 105.93 p-xylene 138.63 chlorobenzene 231.68 dimethyl carbonate 72.14 n-octane 21.17 formamide 173.09 cyclopentanone 337.2 2-pentanone 158.69 anisole 190.67 cyclopentyl methyl ether 163.74 gamma-butyrolactone 386.01 1-methoxy-2-propanol 301.97 pyridine 420.61 3-pentanone 119.26 furfural 464.17 n-dodecane 21.9 diethylene glycol 254.57 diisopropyl ether 49.02 tert-amyl alcohol 361.08 acetylacetone 159.76 n-hexadecane 24.25 acetophenone 182.48 methyl propionate 145.32 isopentyl acetate 162.72 trichloroethylene 745.01 n-nonanol 141.55 cyclohexanol 286.73 benzyl alcohol 210.78 2-ethylhexanol 170.38 isooctanol 113.11 dipropyl ether 106.28 1,2-dichlorobenzene 222.63 ethyl lactate 102.14 propylene carbonate 235.22 n-methylformamide 297.1 2-pentanol 197.78 n-pentane 43.59 1-propoxy-2-propanol 230.89 1-methoxy-2-propyl acetate 138.3 2-(2-methoxypropoxy) propanol 210.6 mesitylene 75.39 ε-caprolactone 281.84 p-cymene 84.24 epichlorohydrin 439.76 1,1,1-trichloroethane 360.84 2-aminoethanol 222.85 morpholine-4-carbaldehyde 419.37 sulfolane 470.48 2,2,4-trimethylpentane 29.17 2-methyltetrahydrofuran 309.47 n-hexyl acetate 206.15 isooctane 21.0 2-(2-butoxyethoxy)ethanol 270.17 sec-butyl acetate 80.73 tert-butyl acetate 107.5 decalin 41.59 glycerin 210.58 diglyme 438.14 acrylic acid 251.63 isopropyl myristate 85.9 n-butyric acid 296.38 acetyl acetate 100.66 di(2-ethylhexyl) phthalate 98.35 ethyl propionate 108.47 nitromethane 393.49 1,2-diethoxyethane 186.48 benzonitrile 293.46 trioctyl phosphate 75.16 1-bromopropane 250.99 gamma-valerolactone 424.9 n-decanol 109.22 triethyl phosphate 86.88 4-methyl-2-pentanol 110.77 propionitrile 246.32 vinylene carbonate 253.76 1,1,2-trichlorotrifluoroethane 387.83 DMS 127.4 cumene 83.77 2-octanol 110.6 2-hexanone 156.33 octyl acetate 119.28 limonene 120.41 1,2-dimethoxyethane 388.95 ethyl orthosilicate 80.62 tributyl phosphate 84.06 diacetone alcohol 178.32 N,N-dimethylaniline 146.66 acrylonitrile 336.68 aniline 212.36 1,3-propanediol 289.71 bromobenzene 243.22 dibromomethane 502.24 1,1,2,2-tetrachloroethane 571.08 2-methyl-cyclohexyl acetate 124.63 tetrabutyl urea 120.62 diisobutyl methanol 94.95 2-phenylethanol 192.33 styrene 142.47 dioctyl adipate 133.19 dimethyl sulfate 128.47 ethyl butyrate 135.24 methyl lactate 123.29 butyl lactate 126.69 diethyl carbonate 114.58 propanediol butyl ether 211.87 triethyl orthoformate 100.86 p-tert-butyltoluene 80.34 methyl 4-tert-butylbenzoate 178.41 morpholine 492.85 tert-butylamine 270.5 n-dodecanol 87.04 dimethoxymethane 211.44 ethylene carbonate 179.61 cyrene 169.47 2-ethoxyethyl acetate 156.5 2-ethylhexyl acetate 129.55 1,2,4-trichlorobenzene 257.49 4-methylpyridine 377.35 dibutyl ether 125.6 2,6-dimethyl-4-heptanol 94.95 DEF 248.25 dimethyl isosorbide 254.05 tetrachloroethylene 373.49 eugenol 195.21 triacetin 169.3 span 80 204.31 1,4-butanediol 156.59 1,1-dichloroethane 398.31 2-methyl-1-pentanol 216.15 methyl formate 205.85 2-methyl-1-butanol 252.42 n-decane 30.73 butyronitrile 288.51 3,7-dimethyl-1-octanol 148.95 1-chlorooctane 104.39 1-chlorotetradecane 49.38 n-nonane 31.43 undecane 25.2 tert-butylcyclohexane 41.18 cyclooctane 21.92 cyclopentanol 287.86 tetrahydropyran 341.0 tert-amyl methyl ether 165.22 2,5,8-trioxanonane 331.46 1-hexene 131.65 2-isopropoxyethanol 187.1 2,2,2-trifluoroethanol 106.91 methyl butyrate 176.57 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 |