Ethyl dodec-2-ynoate
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Identifiers
Molecular formula
C14H24O2SMILES
CCCCCCCCCC#CC(=O)OCC
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Odor profile
Fragrance Green 69.94% Waxy 58.7% Floral 53.7% Fatty 46.44% Violet 43.76% Fresh 37.72% Citrus 36.65% Fruity 36.17% Oily 35.55% Melon 32.24% Flavor Bland 33.54% Mild 29.37% Odorless 25.35% Oily 24.07% Waxy 23.48% Faint 23.1% Slightly waxy 21.59% Beer 20.54% Parsley 20.37% Bay oil 20.22% Odor impact est.
High -
Properties
XLogP3-AA
5.7pKa est.
6.26 (neutral)Molecular weight
224.34 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
281°CFlash point
- 128.75 ˚C est.
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Applications
Ethyl dodec-2-ynoate is an alkyne-containing ester commonly used as an intermediate in organic synthesis; typical applications include: 1) serving as a building block to access functionally diverse compounds; 2) a precursor for functionalized polymers and coatings, enabling crosslinking or end-group modification; 3) a reactive component in click-chemistry-type sequences (alkyne-azide cycloaddition) for molecular assembly; 4) used as a synthetic precursor in pharmaceutical and agrochemical research; 5) a reactive modifier for formulations in coatings, inks, or specialty cleaners.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 16091.19 methanol 19210.61 isopropanol 12492.65 water 0.11 ethyl acetate 15171.64 n-propanol 11525.35 acetone 31084.73 n-butanol 9640.45 acetonitrile 14159.44 DMF 19051.77 toluene 3224.46 isobutanol 7865.89 1,4-dioxane 11169.8 methyl acetate 9161.53 THF 17694.83 2-butanone 15479.13 n-pentanol 5487.26 sec-butanol 8804.31 n-hexane 1575.95 ethylene glycol 1020.0 NMP 8527.33 cyclohexane 2978.82 DMSO 23625.96 n-butyl acetate 6643.04 n-octanol 1235.18 chloroform 14197.32 n-propyl acetate 7790.97 acetic acid 7086.75 dichloromethane 17848.6 cyclohexanone 20884.47 propylene glycol 1869.23 isopropyl acetate 7153.49 DMAc 7239.64 2-ethoxyethanol 6024.96 isopentanol 6177.5 n-heptane 470.76 ethyl formate 5900.91 1,2-dichloroethane 15841.56 n-hexanol 3614.32 2-methoxyethanol 12065.37 isobutyl acetate 3079.86 tetrachloromethane 2167.55 n-pentyl acetate 3643.03 transcutol 12378.83 n-heptanol 1155.86 ethylbenzene 1343.4 MIBK 5160.15 2-propoxyethanol 4793.57 tert-butanol 9185.31 MTBE 9068.11 2-butoxyethanol 2388.1 propionic acid 5818.81 o-xylene 1283.37 formic acid 1502.63 diethyl ether 15035.22 m-xylene 1696.67 p-xylene 1653.42 chlorobenzene 4201.44 dimethyl carbonate 1898.24 n-octane 169.75 formamide 4038.4 cyclopentanone 16552.55 2-pentanone 16070.42 anisole 2603.46 cyclopentyl methyl ether 9827.2 gamma-butyrolactone 12997.71 1-methoxy-2-propanol 8398.41 pyridine 11196.25 3-pentanone 8250.29 furfural 7207.6 n-dodecane 86.52 diethylene glycol 2724.5 diisopropyl ether 2526.73 tert-amyl alcohol 6289.44 acetylacetone 10123.68 n-hexadecane 107.95 acetophenone 2468.88 methyl propionate 8488.18 isopentyl acetate 4325.63 trichloroethylene 19716.99 n-nonanol 975.35 cyclohexanol 8290.18 benzyl alcohol 2146.47 2-ethylhexanol 1776.08 isooctanol 971.21 dipropyl ether 3668.87 1,2-dichlorobenzene 3122.28 ethyl lactate 1531.85 propylene carbonate 5370.69 n-methylformamide 10108.2 2-pentanol 6317.17 n-pentane 1218.19 1-propoxy-2-propanol 3891.33 1-methoxy-2-propyl acetate 4131.6 2-(2-methoxypropoxy) propanol 1478.45 mesitylene 1001.95 ε-caprolactone 10581.06 p-cymene 591.29 epichlorohydrin 14422.55 1,1,1-trichloroethane 9839.83 2-aminoethanol 3469.45 morpholine-4-carbaldehyde 6920.5 sulfolane 12760.63 2,2,4-trimethylpentane 260.58 2-methyltetrahydrofuran 14366.42 n-hexyl acetate 3957.34 isooctane 238.43 2-(2-butoxyethoxy)ethanol 2637.37 sec-butyl acetate 3762.79 tert-butyl acetate 5733.23 decalin 517.47 glycerin 1663.32 diglyme 5825.26 acrylic acid 3418.19 isopropyl myristate 984.35 n-butyric acid 10689.43 acetyl acetate 4725.68 di(2-ethylhexyl) phthalate 669.61 ethyl propionate 5504.24 nitromethane 17816.72 1,2-diethoxyethane 5572.49 benzonitrile 3445.29 trioctyl phosphate 566.21 1-bromopropane 10614.72 gamma-valerolactone 15331.92 n-decanol 618.54 triethyl phosphate 872.76 4-methyl-2-pentanol 2039.63 propionitrile 8731.74 vinylene carbonate 4347.88 1,1,2-trichlorotrifluoroethane 7103.53 DMS 2254.23 cumene 699.11 2-octanol 992.95 2-hexanone 7320.33 octyl acetate 1266.69 limonene 1223.91 1,2-dimethoxyethane 10066.12 ethyl orthosilicate 883.95 tributyl phosphate 823.54 diacetone alcohol 4941.37 N,N-dimethylaniline 1361.69 acrylonitrile 8628.19 aniline 3807.81 1,3-propanediol 5279.66 bromobenzene 4808.52 dibromomethane 12923.13 1,1,2,2-tetrachloroethane 14676.09 2-methyl-cyclohexyl acetate 1701.12 tetrabutyl urea 1154.61 diisobutyl methanol 909.16 2-phenylethanol 1699.76 styrene 2121.26 dioctyl adipate 1367.49 dimethyl sulfate 2737.91 ethyl butyrate 3507.41 methyl lactate 2176.77 butyl lactate 2152.41 diethyl carbonate 1703.68 propanediol butyl ether 2239.89 triethyl orthoformate 1791.32 p-tert-butyltoluene 564.83 methyl 4-tert-butylbenzoate 1446.92 morpholine 18229.22 tert-butylamine 5251.04 n-dodecanol 436.65 dimethoxymethane 8705.42 ethylene carbonate 4260.91 cyrene 1329.2 2-ethoxyethyl acetate 4161.09 2-ethylhexyl acetate 3069.47 1,2,4-trichlorobenzene 3310.2 4-methylpyridine 9719.36 dibutyl ether 3018.47 2,6-dimethyl-4-heptanol 909.16 DEF 12496.26 dimethyl isosorbide 2613.98 tetrachloroethylene 9298.51 eugenol 1426.36 triacetin 2546.7 span 80 1621.98 1,4-butanediol 1756.85 1,1-dichloroethane 14480.26 2-methyl-1-pentanol 3463.39 methyl formate 5181.66 2-methyl-1-butanol 5927.04 n-decane 190.96 butyronitrile 10601.05 3,7-dimethyl-1-octanol 1155.15 1-chlorooctane 1133.28 1-chlorotetradecane 304.02 n-nonane 220.06 undecane 119.77 tert-butylcyclohexane 397.05 cyclooctane 535.91 cyclopentanol 7824.83 tetrahydropyran 21315.63 tert-amyl methyl ether 4947.84 2,5,8-trioxanonane 2824.32 1-hexene 5463.71 2-isopropoxyethanol 3382.55 2,2,2-trifluoroethanol 1420.64 methyl butyrate 8538.13 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
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No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
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Category 2
Products applied to the axillae
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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 |
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Category 4
Products related to fine fragrance
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
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No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
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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
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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
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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
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |