1-Hydroxypropan-2-olate;3-oxodecanoic acid

  • Identifiers

    Molecular formula
    C13H25O5-

    SMILES
    CCCCCCCC(=O)CC(=O)O.CC(CO)[O-]

  • 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/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 145.57 ˚C est.

  • 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

  • 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

1 of 3
Recommendation
No restriction
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