2,3-Dihydroxypropyl 5-hydroxydecanoate

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  • Identifiers

    CAS number
    26446-31-1

    Molecular formula
    C13H26O5

    SMILES
    CCCCCC(CCCC(=O)OCC(CO)O)O

  • Odor profile

    Fragrance
    Fruity 67.32%
    Oily 55.7%
    Peach 44.52%
    Fatty 43.98%
    Buttery 42.63%
    Sweet 42.42%
    Lactonic 41.79%
    Fresh 40.97%
    Tropical 36.73%
    Milky 30.2%

     

    Flavor
    Odorless 45.22%
    Fruity 43.29%
    Sweet 42.58%
    Fatty 30.19%
    Waxy 30.11%
    Mild 29.91%
    Oily 28.7%
    Sweet-like 26.02%
    Creamy 24.02%
    Bland 22.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.49 (neutral)

    Molecular weight
    262.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Flash point

    • 187.43 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in hot organic solvents, oils
    • soluble in hot alcohol (in ethanol)

  • Synonyms

    • Glyceryl 5-hydroxydecanoate
    • 2,3-dihydroxypropyl 5-hydroxydecanoate
    • 26446-31-1
    • Glycerol 5-hydroxydecanoate
    • UNII-6597ID2E8A
    • 5-Hydroxydecanoic acid, monoester with glycerol
    • FEMA No. 3685, mono-
    • Glycerol mono(5-hydroxydecanoate)
    • 6597ID2E8A
    • Glyeryl 5-hydroxydecanoate
    • 89410-67-3
    • Decanoic acid, 5-hydroxy-, 2,3-dihydroxypropyl ester
    • glyceryl 1-(5-hydroxydecanoate)
    • Glyceryl mono(5-hydroxydecanoate)
    • Glycerol, mono(5-hydroxydecanoate)
    • 1,2,3-Propanetriol mono(5-hydroxydecanoate)
    • (+/-)-2,3-Dihydroxypropyl 5-hydroxydecanoate
    • 2,3-Dihydroxypropyl 5-hydroxydecanoate, (+/-)-
    • DTXSID70865289
    • Decanoic acid, 5-hydroxy-, monoester with glycerol
    • UNII-6WP535DN59
    • FEMA No. 3685
    • EINECS 247-699-0
    • SCHEMBL1771671
    • DTXCID80813716
    • CHEBI:168139
    • ILJDYMFZBMWGGZ-UHFFFAOYSA-N
    • 6WP535DN59
    • Decanoic acid, 5-hydroxy-, monoester with 1,2,3-propanetriol
    • AKOS027382827
    • NS00051307
    • Q27263854

  • Applications

    2,3-Dihydroxypropyl 5-hydroxydecanoate (CAS 26446-31-1) is commonly used in cosmetics and personal care as a humectant and skin emollient, and can function as a nonionic surfactant or co-emollient in formulations; it may also serve as an intermediate or processing aid in ester-based materials and as a functional additive in polymer, coating, and adhesive systems; in household and cleaning products it can act as a mild solvent or conditioning agent that helps formulate stable products; in pharmaceutical formulations it may be used as an excipient (solubilizer or stabilizer) subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.77
    methanol 1158.18
    isopropanol 104.25
    water 8.59
    ethyl acetate 95.4
    n-propanol 132.93
    acetone 164.26
    n-butanol 106.21
    acetonitrile 39.81
    DMF 767.7
    toluene 8.37
    isobutanol 76.76
    1,4-dioxane 155.14
    methyl acetate 52.25
    THF 325.0
    2-butanone 58.31
    n-pentanol 72.19
    sec-butanol 66.25
    n-hexane 1.23
    ethylene glycol 200.69
    NMP 448.92
    cyclohexane 4.24
    DMSO 2238.98
    n-butyl acetate 48.24
    n-octanol 30.38
    chloroform 30.34
    n-propyl acetate 64.85
    acetic acid 522.66
    dichloromethane 41.66
    cyclohexanone 186.92
    propylene glycol 216.65
    isopropyl acetate 79.26
    DMAc 517.74
    2-ethoxyethanol 366.44
    isopentanol 98.07
    n-heptane 1.62
    ethyl formate 74.77
    1,2-dichloroethane 46.46
    n-hexanol 47.37
    2-methoxyethanol 789.32
    isobutyl acetate 40.09
    tetrachloromethane 5.9
    n-pentyl acetate 41.0
    transcutol 922.53
    n-heptanol 32.56
    ethylbenzene 8.07
    MIBK 75.35
    2-propoxyethanol 203.82
    tert-butanol 168.12
    MTBE 47.37
    2-butoxyethanol 123.33
    propionic acid 170.67
    o-xylene 15.02
    formic acid 606.12
    diethyl ether 29.13
    m-xylene 14.51
    p-xylene 11.17
    chlorobenzene 12.86
    dimethyl carbonate 52.45
    n-octane 1.13
    formamide 715.49
    cyclopentanone 234.43
    2-pentanone 92.35
    anisole 34.04
    cyclopentyl methyl ether 101.31
    gamma-butyrolactone 295.04
    1-methoxy-2-propanol 457.26
    pyridine 54.27
    3-pentanone 43.04
    furfural 277.66
    n-dodecane 1.02
    diethylene glycol 293.16
    diisopropyl ether 13.12
    tert-amyl alcohol 106.0
    acetylacetone 219.13
    n-hexadecane 1.15
    acetophenone 62.37
    methyl propionate 85.87
    isopentyl acetate 54.59
    trichloroethylene 83.98
    n-nonanol 28.12
    cyclohexanol 101.84
    benzyl alcohol 60.71
    2-ethylhexanol 25.98
    isooctanol 28.53
    dipropyl ether 22.21
    1,2-dichlorobenzene 19.8
    ethyl lactate 76.06
    propylene carbonate 146.96
    n-methylformamide 336.21
    2-pentanol 53.5
    n-pentane 1.22
    1-propoxy-2-propanol 125.21
    1-methoxy-2-propyl acetate 108.17
    2-(2-methoxypropoxy) propanol 137.21
    mesitylene 12.92
    ε-caprolactone 179.3
    p-cymene 9.1
    epichlorohydrin 207.98
    1,1,1-trichloroethane 21.99
    2-aminoethanol 337.84
    morpholine-4-carbaldehyde 422.15
    sulfolane 639.08
    2,2,4-trimethylpentane 1.98
    2-methyltetrahydrofuran 112.18
    n-hexyl acetate 58.57
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 211.99
    sec-butyl acetate 42.28
    tert-butyl acetate 101.34
    decalin 2.83
    glycerin 435.6
    diglyme 402.97
    acrylic acid 171.45
    isopropyl myristate 20.09
    n-butyric acid 234.58
    acetyl acetate 83.73
    di(2-ethylhexyl) phthalate 34.1
    ethyl propionate 49.93
    nitromethane 598.88
    1,2-diethoxyethane 85.21
    benzonitrile 38.82
    trioctyl phosphate 25.05
    1-bromopropane 11.6
    gamma-valerolactone 430.23
    n-decanol 19.55
    triethyl phosphate 31.5
    4-methyl-2-pentanol 38.26
    propionitrile 26.27
    vinylene carbonate 114.91
    1,1,2-trichlorotrifluoroethane 321.34
    DMS 61.05
    cumene 8.43
    2-octanol 18.64
    2-hexanone 53.07
    octyl acetate 28.33
    limonene 14.66
    1,2-dimethoxyethane 336.66
    ethyl orthosilicate 30.63
    tributyl phosphate 31.49
    diacetone alcohol 213.56
    N,N-dimethylaniline 35.75
    acrylonitrile 49.08
    aniline 31.33
    1,3-propanediol 433.77
    bromobenzene 10.83
    dibromomethane 20.8
    1,1,2,2-tetrachloroethane 79.72
    2-methyl-cyclohexyl acetate 47.27
    tetrabutyl urea 46.75
    diisobutyl methanol 18.9
    2-phenylethanol 43.98
    styrene 8.71
    dioctyl adipate 50.64
    dimethyl sulfate 153.94
    ethyl butyrate 42.58
    methyl lactate 135.38
    butyl lactate 75.54
    diethyl carbonate 28.7
    propanediol butyl ether 168.54
    triethyl orthoformate 39.9
    p-tert-butyltoluene 10.04
    methyl 4-tert-butylbenzoate 80.52
    morpholine 273.07
    tert-butylamine 46.71
    n-dodecanol 13.95
    dimethoxymethane 279.29
    ethylene carbonate 100.59
    cyrene 150.05
    2-ethoxyethyl acetate 80.2
    2-ethylhexyl acetate 33.55
    1,2,4-trichlorobenzene 29.02
    4-methylpyridine 48.0
    dibutyl ether 21.97
    2,6-dimethyl-4-heptanol 18.9
    DEF 185.43
    dimethyl isosorbide 197.25
    tetrachloroethylene 56.41
    eugenol 86.11
    triacetin 117.93
    span 80 116.98
    1,4-butanediol 140.73
    1,1-dichloroethane 17.64
    2-methyl-1-pentanol 61.83
    methyl formate 186.27
    2-methyl-1-butanol 77.42
    n-decane 1.77
    butyronitrile 34.34
    3,7-dimethyl-1-octanol 32.95
    1-chlorooctane 8.5
    1-chlorotetradecane 3.57
    n-nonane 1.58
    undecane 1.25
    tert-butylcyclohexane 2.29
    cyclooctane 2.06
    cyclopentanol 123.02
    tetrahydropyran 84.5
    tert-amyl methyl ether 42.46
    2,5,8-trioxanonane 270.02
    1-hexene 4.92
    2-isopropoxyethanol 173.96
    2,2,2-trifluoroethanol 172.72
    methyl butyrate 88.54

    Scent© AI

1 4

IFRA standard 51

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