Propan-2-yl pent-2-enoate
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Identifiers
Molecular formula
C8H14O2SMILES
CCC=CC(=O)OC(C)C
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Odor profile
Fragrance Fruity 96.99% Green 69.21% Apple 66.83% Pineapple 59.32% Tropical 51.8% Ethereal 45.4% Banana 44.64% Sweet 43.28% Pear 37.39% Berry 37.0% Flavor Fruity 67.37% Tropical 36.29% Sweet 34.19% Berry 30.14% Green 27.5% Pineapple 27.43% Cheese 26.53% Ethereal 24.17% Pungent 23.75% Butter 22.2% Odor impact est.
High -
Properties
XLogP3-AA
2.2pKa est.
8.36 (weak base)Molecular weight
142.2 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Very fastBoiling point est.
162°CFlash point
- 47.74 ˚C est.
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Applications
Propan-2-yl pent-2-enoate is used as a fragrance ingredient and a fixative in perfumery, as a solvent or co-solvent in cosmetics and personal care, and as a plasticizer or solvent in coatings and inks. It is also regarded as an industrial intermediate and may be explored as a monomer or comonomer for specialty polymers.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 874.5 methanol 1100.26 isopropanol 851.16 water 2.29 ethyl acetate 371.88 n-propanol 735.42 acetone 685.21 n-butanol 738.5 acetonitrile 429.57 DMF 1182.4 toluene 286.44 isobutanol 596.57 1,4-dioxane 880.13 methyl acetate 369.31 THF 1236.02 2-butanone 472.76 n-pentanol 506.23 sec-butanol 730.3 n-hexane 323.29 ethylene glycol 219.13 NMP 1040.46 cyclohexane 385.41 DMSO 767.05 n-butyl acetate 422.76 n-octanol 354.68 chloroform 1618.61 n-propyl acetate 226.76 acetic acid 937.69 dichloromethane 1016.83 cyclohexanone 847.13 propylene glycol 351.25 isopropyl acetate 262.67 DMAc 871.6 2-ethoxyethanol 392.96 isopentanol 607.82 n-heptane 137.17 ethyl formate 283.9 1,2-dichloroethane 585.88 n-hexanol 710.1 2-methoxyethanol 742.95 isobutyl acetate 180.33 tetrachloromethane 251.3 n-pentyl acetate 256.09 transcutol 977.27 n-heptanol 259.06 ethylbenzene 203.13 MIBK 275.63 2-propoxyethanol 703.41 tert-butanol 982.07 MTBE 571.47 2-butoxyethanol 320.58 propionic acid 561.62 o-xylene 204.14 formic acid 249.02 diethyl ether 490.51 m-xylene 206.59 p-xylene 258.51 chlorobenzene 411.64 dimethyl carbonate 159.45 n-octane 57.43 formamide 218.6 cyclopentanone 829.15 2-pentanone 421.73 anisole 307.76 cyclopentyl methyl ether 588.4 gamma-butyrolactone 844.81 1-methoxy-2-propanol 622.32 pyridine 669.69 3-pentanone 315.72 furfural 702.69 n-dodecane 53.18 diethylene glycol 469.51 diisopropyl ether 177.35 tert-amyl alcohol 790.24 acetylacetone 401.73 n-hexadecane 58.29 acetophenone 279.01 methyl propionate 320.27 isopentyl acetate 397.15 trichloroethylene 1132.53 n-nonanol 292.31 cyclohexanol 768.75 benzyl alcohol 289.76 2-ethylhexanol 380.42 isooctanol 200.97 dipropyl ether 307.15 1,2-dichlorobenzene 368.84 ethyl lactate 169.48 propylene carbonate 522.17 n-methylformamide 445.35 2-pentanol 544.65 n-pentane 225.23 1-propoxy-2-propanol 512.77 1-methoxy-2-propyl acetate 330.36 2-(2-methoxypropoxy) propanol 393.85 mesitylene 156.22 ε-caprolactone 670.65 p-cymene 149.11 epichlorohydrin 764.18 1,1,1-trichloroethane 676.44 2-aminoethanol 398.67 morpholine-4-carbaldehyde 761.02 sulfolane 1038.04 2,2,4-trimethylpentane 97.31 2-methyltetrahydrofuran 888.53 n-hexyl acetate 473.17 isooctane 72.23 2-(2-butoxyethoxy)ethanol 473.75 sec-butyl acetate 181.8 tert-butyl acetate 320.77 decalin 142.77 glycerin 380.49 diglyme 644.1 acrylic acid 500.01 isopropyl myristate 190.95 n-butyric acid 735.04 acetyl acetate 269.25 di(2-ethylhexyl) phthalate 206.49 ethyl propionate 226.18 nitromethane 718.29 1,2-diethoxyethane 349.43 benzonitrile 389.66 trioctyl phosphate 157.19 1-bromopropane 523.43 gamma-valerolactone 868.83 n-decanol 217.73 triethyl phosphate 158.5 4-methyl-2-pentanol 284.98 propionitrile 400.51 vinylene carbonate 487.43 1,1,2-trichlorotrifluoroethane 683.9 DMS 275.83 cumene 152.05 2-octanol 214.48 2-hexanone 325.39 octyl acetate 251.87 limonene 254.56 1,2-dimethoxyethane 700.71 ethyl orthosilicate 156.38 tributyl phosphate 184.35 diacetone alcohol 386.02 N,N-dimethylaniline 265.33 acrylonitrile 419.9 aniline 360.33 1,3-propanediol 521.53 bromobenzene 440.25 dibromomethane 814.91 1,1,2,2-tetrachloroethane 1073.75 2-methyl-cyclohexyl acetate 272.15 tetrabutyl urea 242.51 diisobutyl methanol 203.36 2-phenylethanol 352.74 styrene 243.35 dioctyl adipate 268.65 dimethyl sulfate 268.08 ethyl butyrate 243.47 methyl lactate 246.97 butyl lactate 239.67 diethyl carbonate 194.8 propanediol butyl ether 401.95 triethyl orthoformate 202.97 p-tert-butyltoluene 153.97 methyl 4-tert-butylbenzoate 319.15 morpholine 1002.6 tert-butylamine 688.04 n-dodecanol 174.08 dimethoxymethane 492.96 ethylene carbonate 395.34 cyrene 308.23 2-ethoxyethyl acetate 266.36 2-ethylhexyl acetate 309.33 1,2,4-trichlorobenzene 427.65 4-methylpyridine 666.62 dibutyl ether 324.73 2,6-dimethyl-4-heptanol 203.36 DEF 548.77 dimethyl isosorbide 529.64 tetrachloroethylene 663.25 eugenol 311.18 triacetin 343.91 span 80 421.97 1,4-butanediol 239.0 1,1-dichloroethane 726.94 2-methyl-1-pentanol 460.4 methyl formate 325.72 2-methyl-1-butanol 582.33 n-decane 83.71 butyronitrile 516.22 3,7-dimethyl-1-octanol 325.36 1-chlorooctane 244.2 1-chlorotetradecane 109.56 n-nonane 87.98 undecane 64.1 tert-butylcyclohexane 133.84 cyclooctane 110.78 cyclopentanol 775.74 tetrahydropyran 987.54 tert-amyl methyl ether 441.83 2,5,8-trioxanonane 519.06 1-hexene 539.26 2-isopropoxyethanol 295.9 2,2,2-trifluoroethanol 244.11 methyl butyrate 313.3 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
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No restriction |