1-Hydroxypropan-2-olate;3-oxodecanoic acid
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Identifiers
Molecular formula
C13H25O5-SMILES
CCCCCCCC(=O)CC(=O)O.CC(CO)[O-]
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Odor profile
Fragrance Fatty 76.22% Dairy 51.7% Waxy 51.19% Cheesy 49.91% Milky 43.76% Creamy 39.93% Sour 37.08% Buttery 35.65% Oily 35.32% Fruity 34.54% Flavor Fatty 54.94% Cheese 49.43% Fruity 38.25% Waxy 38.09% Oily 36.97% Sour 36.33% Sweat 35.82% Rancid 33.59% Green 33.22% Cheesy 28.64% Odor impact est.
Medium -
Properties
pKa est.
7.29 (neutral)Molecular weight
261.33 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
292°CFlash point
- 145.57 ˚C est.
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Applications
1-Hydroxypropan-2-olate;3-oxodecanoic acid is primarily used as an organic synthesis intermediate and building block for specialty chemicals; it can be converted to esters, ketones and other derivatives for use in polymer and plastics applications, potentially serving as a monomer or co-monomer in select polyester and related polymer systems, its alkoxide functionality enables it to act as a processing reagent or polymerization initiator, and it can function as a stabilizer or chelating additive in coatings and cleaning formulations; additionally, it is evaluated as a precursor for pharmaceutical or agrochemical intermediates, subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1200.25 methanol 1540.36 isopropanol 745.61 water 0.68 ethyl acetate 257.83 n-propanol 657.24 acetone 1105.45 n-butanol 534.35 acetonitrile 201.58 DMF 1898.18 toluene 44.81 isobutanol 469.81 1,4-dioxane 406.27 methyl acetate 207.33 THF 1602.34 2-butanone 400.66 n-pentanol 390.16 sec-butanol 388.03 n-hexane 29.13 ethylene glycol 365.85 NMP 1123.47 cyclohexane 13.92 DMSO 3330.27 n-butyl acetate 241.97 n-octanol 110.47 chloroform 203.09 n-propyl acetate 195.89 acetic acid 713.56 dichloromethane 173.52 cyclohexanone 653.73 propylene glycol 625.29 isopropyl acetate 213.6 DMAc 895.63 2-ethoxyethanol 551.07 isopentanol 470.41 n-heptane 7.84 ethyl formate 177.79 1,2-dichloroethane 214.27 n-hexanol 350.17 2-methoxyethanol 1220.54 isobutyl acetate 155.1 tetrachloromethane 32.6 n-pentyl acetate 123.74 transcutol 1497.69 n-heptanol 112.55 ethylbenzene 43.44 MIBK 326.59 2-propoxyethanol 646.95 tert-butanol 912.53 MTBE 290.67 2-butoxyethanol 264.0 propionic acid 417.18 o-xylene 52.76 formic acid 310.31 diethyl ether 170.76 m-xylene 72.9 p-xylene 57.37 chlorobenzene 80.97 dimethyl carbonate 109.38 n-octane 3.51 formamide 403.7 cyclopentanone 1028.91 2-pentanone 441.84 anisole 147.12 cyclopentyl methyl ether 477.62 gamma-butyrolactone 893.44 1-methoxy-2-propanol 1005.66 pyridine 213.81 3-pentanone 187.77 furfural 525.71 n-dodecane 3.4 diethylene glycol 559.72 diisopropyl ether 72.35 tert-amyl alcohol 508.5 acetylacetone 520.71 n-hexadecane 3.98 acetophenone 166.25 methyl propionate 249.88 isopentyl acetate 248.4 trichloroethylene 354.49 n-nonanol 92.65 cyclohexanol 364.74 benzyl alcohol 181.34 2-ethylhexanol 145.85 isooctanol 95.98 dipropyl ether 112.22 1,2-dichlorobenzene 92.78 ethyl lactate 143.88 propylene carbonate 360.4 n-methylformamide 653.48 2-pentanol 309.75 n-pentane 11.99 1-propoxy-2-propanol 450.91 1-methoxy-2-propyl acetate 313.05 2-(2-methoxypropoxy) propanol 310.0 mesitylene 54.7 ε-caprolactone 445.43 p-cymene 36.59 epichlorohydrin 739.57 1,1,1-trichloroethane 171.04 2-aminoethanol 704.93 morpholine-4-carbaldehyde 745.97 sulfolane 1447.01 2,2,4-trimethylpentane 10.96 2-methyltetrahydrofuran 666.68 n-hexyl acetate 210.44 isooctane 12.26 2-(2-butoxyethoxy)ethanol 456.31 sec-butyl acetate 133.37 tert-butyl acetate 325.87 decalin 16.38 glycerin 689.89 diglyme 667.87 acrylic acid 329.32 isopropyl myristate 73.3 n-butyric acid 563.34 acetyl acetate 137.84 di(2-ethylhexyl) phthalate 94.43 ethyl propionate 156.78 nitromethane 810.43 1,2-diethoxyethane 215.8 benzonitrile 156.35 trioctyl phosphate 70.95 1-bromopropane 101.58 gamma-valerolactone 1010.17 n-decanol 66.56 triethyl phosphate 74.19 4-methyl-2-pentanol 191.96 propionitrile 178.89 vinylene carbonate 247.08 1,1,2-trichlorotrifluoroethane 585.09 DMS 145.36 cumene 43.76 2-octanol 74.44 2-hexanone 290.21 octyl acetate 97.11 limonene 59.6 1,2-dimethoxyethane 729.81 ethyl orthosilicate 71.61 tributyl phosphate 93.07 diacetone alcohol 630.92 N,N-dimethylaniline 120.67 acrylonitrile 229.7 aniline 149.16 1,3-propanediol 762.93 bromobenzene 67.67 dibromomethane 121.27 1,1,2,2-tetrachloroethane 358.26 2-methyl-cyclohexyl acetate 141.7 tetrabutyl urea 130.33 diisobutyl methanol 84.28 2-phenylethanol 171.99 styrene 48.29 dioctyl adipate 134.14 dimethyl sulfate 271.81 ethyl butyrate 132.98 methyl lactate 265.57 butyl lactate 170.07 diethyl carbonate 81.6 propanediol butyl ether 395.09 triethyl orthoformate 100.42 p-tert-butyltoluene 39.05 methyl 4-tert-butylbenzoate 180.42 morpholine 790.76 tert-butylamine 399.16 n-dodecanol 46.77 dimethoxymethane 608.62 ethylene carbonate 214.95 cyrene 281.01 2-ethoxyethyl acetate 178.39 2-ethylhexyl acetate 160.15 1,2,4-trichlorobenzene 123.09 4-methylpyridine 243.92 dibutyl ether 92.8 2,6-dimethyl-4-heptanol 84.28 DEF 432.07 dimethyl isosorbide 467.3 tetrachloroethylene 201.7 eugenol 194.66 triacetin 201.71 span 80 264.77 1,4-butanediol 288.67 1,1-dichloroethane 178.8 2-methyl-1-pentanol 304.04 methyl formate 343.79 2-methyl-1-butanol 375.19 n-decane 5.85 butyronitrile 245.86 3,7-dimethyl-1-octanol 123.97 1-chlorooctane 38.87 1-chlorotetradecane 14.5 n-nonane 5.54 undecane 4.35 tert-butylcyclohexane 19.14 cyclooctane 5.34 cyclopentanol 581.72 tetrahydropyran 420.4 tert-amyl methyl ether 206.8 2,5,8-trioxanonane 468.46 1-hexene 115.67 2-isopropoxyethanol 370.97 2,2,2-trifluoroethanol 161.91 methyl butyrate 243.24 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 |