2-Hexyl-3-hydroxycapric acid

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  • Identifiers

    CAS number
    124347-07-5

    Molecular formula
    C16H32O3

    SMILES
    CCCCCCCC(C(CCCCCC)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 53.86%
    Herbal 50.98%
    Waxy 45.67%
    Fatty 42.31%
    Citrus 38.18%
    Fruity 36.73%
    Fresh 36.4%
    Floral 35.93%
    Woody 35.62%
    Green 33.95%

     

    Flavor
    Fatty 38.7%
    Mild 36.8%
    Waxy 34.16%
    Odorless 33.27%
    Bland 30.82%
    Oily 28.08%
    Faint 23.48%
    Fat 23.44%
    Slightly waxy 23.01%
    Bay oil 22.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    5.9 (weak acid)

    Molecular weight
    272.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 170.35 ˚C est.

  • Synonyms

    • 2-hexyl-3-hydroxydecanoic acid
    • 2-Hexyl-3-hydroxycapric acid
    • Decanoic acid, 2-hexyl-3-hydroxy-
    • Hexyl hydroxycapric acid
    • 124347-07-5
    • 2-N-Hexyl-3-hydroxy-N-decanoic acid
    • 91PB3SS838
    • DTXSID80562297
    • RefChem:87300
    • DTXCID90513073
    • UNII-91PB3SS838
    • Hexyl hydroxycapric acid [INCI]
    • SCHEMBL5054302
    • Q27271420
    • 124347-07-5

  • Applications

    2-Hexyl-3-hydroxycapric acid (CAS 124347-07-5) is typically used as a chemical intermediate and building block for esters and derivatives with applications in cosmetics and personal care (emollient esters), fragrance and flavor formulations, specialty polymers (as a precursor for polyol or resin modifiers), and surfactants or functional additives in coatings and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2076.42
    methanol 2109.35
    isopropanol 2193.22
    water 0.1
    ethyl acetate 1232.06
    n-propanol 1757.8
    acetone 2455.3
    n-butanol 1389.13
    acetonitrile 448.63
    DMF 2813.45
    toluene 366.13
    isobutanol 1438.09
    1,4-dioxane 1371.86
    methyl acetate 730.1
    THF 4462.71
    2-butanone 1439.8
    n-pentanol 898.38
    sec-butanol 1376.48
    n-hexane 265.5
    ethylene glycol 159.69
    NMP 2616.99
    cyclohexane 374.45
    DMSO 4614.29
    n-butyl acetate 1321.04
    n-octanol 379.07
    chloroform 1197.28
    n-propyl acetate 1011.91
    acetic acid 810.61
    dichloromethane 1204.62
    cyclohexanone 3151.09
    propylene glycol 466.81
    isopropyl acetate 1151.94
    DMAc 1767.77
    2-ethoxyethanol 1002.86
    isopentanol 1375.01
    n-heptane 88.25
    ethyl formate 554.95
    1,2-dichloroethane 1515.66
    n-hexanol 981.41
    2-methoxyethanol 1853.17
    isobutyl acetate 688.6
    tetrachloromethane 306.16
    n-pentyl acetate 934.23
    transcutol 3032.68
    n-heptanol 466.5
    ethylbenzene 238.67
    MIBK 1184.14
    2-propoxyethanol 1393.55
    tert-butanol 2625.02
    MTBE 1769.44
    2-butoxyethanol 895.71
    propionic acid 909.61
    o-xylene 302.29
    formic acid 221.84
    diethyl ether 1296.07
    m-xylene 345.39
    p-xylene 325.81
    chlorobenzene 575.98
    dimethyl carbonate 293.44
    n-octane 38.83
    formamide 426.89
    cyclopentanone 3393.41
    2-pentanone 1679.07
    anisole 454.16
    cyclopentyl methyl ether 2087.66
    gamma-butyrolactone 2778.55
    1-methoxy-2-propanol 1901.41
    pyridine 1057.92
    3-pentanone 952.24
    furfural 1391.06
    n-dodecane 23.47
    diethylene glycol 690.23
    diisopropyl ether 537.29
    tert-amyl alcohol 1613.66
    acetylacetone 1500.79
    n-hexadecane 28.34
    acetophenone 552.84
    methyl propionate 917.5
    isopentyl acetate 1221.73
    trichloroethylene 1978.54
    n-nonanol 330.7
    cyclohexanol 1594.03
    benzyl alcohol 427.94
    2-ethylhexanol 573.14
    isooctanol 420.05
    dipropyl ether 738.84
    1,2-dichlorobenzene 560.02
    ethyl lactate 384.87
    propylene carbonate 1274.6
    n-methylformamide 1049.19
    2-pentanol 1145.93
    n-pentane 164.79
    1-propoxy-2-propanol 1187.12
    1-methoxy-2-propyl acetate 1028.5
    2-(2-methoxypropoxy) propanol 588.02
    mesitylene 267.3
    ε-caprolactone 2061.11
    p-cymene 174.96
    epichlorohydrin 2465.28
    1,1,1-trichloroethane 1204.59
    2-aminoethanol 633.9
    morpholine-4-carbaldehyde 1718.58
    sulfolane 4232.15
    2,2,4-trimethylpentane 95.1
    2-methyltetrahydrofuran 2747.1
    n-hexyl acetate 977.83
    isooctane 79.13
    2-(2-butoxyethoxy)ethanol 959.62
    sec-butyl acetate 726.65
    tert-butyl acetate 1440.95
    decalin 133.21
    glycerin 501.3
    diglyme 1644.26
    acrylic acid 518.63
    isopropyl myristate 301.55
    n-butyric acid 1737.65
    acetyl acetate 564.69
    di(2-ethylhexyl) phthalate 262.15
    ethyl propionate 754.55
    nitromethane 1276.22
    1,2-diethoxyethane 1121.35
    benzonitrile 509.01
    trioctyl phosphate 233.13
    1-bromopropane 885.97
    gamma-valerolactone 3152.56
    n-decanol 225.05
    triethyl phosphate 274.89
    4-methyl-2-pentanol 664.34
    propionitrile 587.7
    vinylene carbonate 822.83
    1,1,2-trichlorotrifluoroethane 1363.69
    DMS 515.75
    cumene 190.54
    2-octanol 355.66
    2-hexanone 1057.37
    octyl acetate 384.85
    limonene 354.74
    1,2-dimethoxyethane 1578.43
    ethyl orthosilicate 277.6
    tributyl phosphate 300.53
    diacetone alcohol 1510.09
    N,N-dimethylaniline 362.91
    acrylonitrile 541.55
    aniline 566.63
    1,3-propanediol 1097.01
    bromobenzene 568.1
    dibromomethane 945.08
    1,1,2,2-tetrachloroethane 1958.14
    2-methyl-cyclohexyl acetate 606.49
    tetrabutyl urea 399.24
    diisobutyl methanol 339.04
    2-phenylethanol 475.82
    styrene 276.04
    dioctyl adipate 433.39
    dimethyl sulfate 678.99
    ethyl butyrate 738.21
    methyl lactate 518.91
    butyl lactate 704.79
    diethyl carbonate 363.63
    propanediol butyl ether 784.58
    triethyl orthoformate 487.54
    p-tert-butyltoluene 181.81
    methyl 4-tert-butylbenzoate 567.52
    morpholine 2439.07
    tert-butylamine 1629.65
    n-dodecanol 162.26
    dimethoxymethane 1440.85
    ethylene carbonate 841.62
    cyrene 589.77
    2-ethoxyethyl acetate 930.65
    2-ethylhexyl acetate 887.76
    1,2,4-trichlorobenzene 659.58
    4-methylpyridine 1103.34
    dibutyl ether 596.09
    2,6-dimethyl-4-heptanol 339.04
    DEF 1684.93
    dimethyl isosorbide 1081.69
    tetrachloroethylene 1226.93
    eugenol 492.66
    triacetin 679.33
    span 80 620.7
    1,4-butanediol 365.86
    1,1-dichloroethane 1295.95
    2-methyl-1-pentanol 795.16
    methyl formate 523.05
    2-methyl-1-butanol 1106.06
    n-decane 49.23
    butyronitrile 864.81
    3,7-dimethyl-1-octanol 417.77
    1-chlorooctane 276.23
    1-chlorotetradecane 84.48
    n-nonane 49.18
    undecane 32.4
    tert-butylcyclohexane 115.79
    cyclooctane 96.98
    cyclopentanol 1890.06
    tetrahydropyran 2688.34
    tert-amyl methyl ether 1106.04
    2,5,8-trioxanonane 958.87
    1-hexene 704.57
    2-isopropoxyethanol 816.88
    2,2,2-trifluoroethanol 281.49
    methyl butyrate 1102.04

    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