Methyl 2-hydroxyhexanoate

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  • Identifiers

    CAS number
    68756-64-9

    Molecular formula
    C7H14O3

    SMILES
    CCCCC(C(=O)OC)O

  • Odor profile

    Fragrance
    Fruity 93.04%
    Caramellic 59.29%
    Sweet 53.85%
    Winey 50.77%
    Buttery 49.47%
    Pineapple 40.71%
    Ethereal 35.24%
    Oily 33.38%
    Fermented 31.89%
    Creamy 31.53%

     

    Flavor
    Fruity 73.4%
    Sweet 56.01%
    Creamy 39.03%
    Waxy 36.74%
    Berry 33.38%
    Oily 32.82%
    Buttery 32.27%
    Cheese 31.12%
    Tropical 30.27%
    Fatty 29.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.9 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 76.12 ˚C est.

  • Synonyms

    • Methyl 2-hydroxyhexanoate
    • 68756-64-9
    • EINECS 272-141-8
    • Hexanoic acid, 2-hydroxy-, methyl ester
    • Methyl 2-hydroxy-hexanoate
    • Methyl 2-hydroxycaproate
    • Methyl 2-hydroxyhexanoate #
    • SCHEMBL149523
    • DTXSID20988457
    • 2-Hydroxycaproic acid, methyl ester
    • AKOS011496121
    • Hexanoic acid,4-hydroxy-,methyl ester
    • DB-402022
    • NS00062246

  • Applications

    Methyl 2-hydroxyhexanoate (CAS 68756-64-9) is primarily used as an intermediate in organic synthesis and as a solvent/processing aid in diverse formulations. In fragrance and cosmetics, it functions as a fragrance ingredient or carrier and can act as a solvent for other aroma materials; in household products it serves as a solvent vehicle for fragrances and actives; in coatings, inks and adhesives it is employed as a process solvent and a precursor for specialty esters; in industrial manufacturing it is evaluated as a chemical intermediate for producing other esters and specialty chemicals; in polymers/plastics it may be used as a plasticizer or building block for ester-based polymer chemistries, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1917.13
    methanol 3902.39
    isopropanol 1210.6
    water 21.12
    ethyl acetate 601.51
    n-propanol 1268.43
    acetone 874.67
    n-butanol 953.38
    acetonitrile 601.44
    DMF 1315.12
    toluene 82.88
    isobutanol 864.51
    1,4-dioxane 1487.31
    methyl acetate 670.26
    THF 989.61
    2-butanone 505.89
    n-pentanol 571.59
    sec-butanol 883.87
    n-hexane 16.65
    ethylene glycol 883.47
    NMP 894.87
    cyclohexane 62.88
    DMSO 1778.56
    n-butyl acetate 380.52
    n-octanol 199.21
    chloroform 889.45
    n-propyl acetate 330.63
    acetic acid 2698.98
    dichloromethane 858.65
    cyclohexanone 768.39
    propylene glycol 667.75
    isopropyl acetate 307.6
    DMAc 702.84
    2-ethoxyethanol 1087.78
    isopentanol 671.24
    n-heptane 15.75
    ethyl formate 677.02
    1,2-dichloroethane 618.3
    n-hexanol 477.3
    2-methoxyethanol 2178.68
    isobutyl acetate 187.4
    tetrachloromethane 137.42
    n-pentyl acetate 236.87
    transcutol 1712.14
    n-heptanol 226.63
    ethylbenzene 70.82
    MIBK 227.5
    2-propoxyethanol 806.79
    tert-butanol 1526.11
    MTBE 620.91
    2-butoxyethanol 485.42
    propionic acid 1140.36
    o-xylene 92.82
    formic acid 1924.69
    diethyl ether 399.84
    m-xylene 75.23
    p-xylene 106.35
    chlorobenzene 246.61
    dimethyl carbonate 143.58
    n-octane 10.38
    formamide 1960.67
    cyclopentanone 742.42
    2-pentanone 367.94
    anisole 214.41
    cyclopentyl methyl ether 324.73
    gamma-butyrolactone 1152.26
    1-methoxy-2-propanol 1001.49
    pyridine 629.05
    3-pentanone 217.1
    furfural 1005.1
    n-dodecane 10.36
    diethylene glycol 894.19
    diisopropyl ether 93.7
    tert-amyl alcohol 1097.12
    acetylacetone 459.45
    n-hexadecane 11.6
    acetophenone 238.36
    methyl propionate 367.22
    isopentyl acetate 337.27
    trichloroethylene 1154.86
    n-nonanol 158.61
    cyclohexanol 689.82
    benzyl alcohol 317.23
    2-ethylhexanol 231.45
    isooctanol 177.2
    dipropyl ether 131.27
    1,2-dichlorobenzene 246.15
    ethyl lactate 196.44
    propylene carbonate 583.38
    n-methylformamide 1164.89
    2-pentanol 479.32
    n-pentane 22.04
    1-propoxy-2-propanol 458.57
    1-methoxy-2-propyl acetate 312.35
    2-(2-methoxypropoxy) propanol 316.49
    mesitylene 61.54
    ε-caprolactone 789.97
    p-cymene 72.18
    epichlorohydrin 1080.83
    1,1,1-trichloroethane 431.9
    2-aminoethanol 1286.83
    morpholine-4-carbaldehyde 996.65
    sulfolane 1214.76
    2,2,4-trimethylpentane 24.77
    2-methyltetrahydrofuran 687.72
    n-hexyl acetate 315.95
    isooctane 16.2
    2-(2-butoxyethoxy)ethanol 518.41
    sec-butyl acetate 193.59
    tert-butyl acetate 330.53
    decalin 28.15
    glycerin 966.93
    diglyme 929.02
    acrylic acid 1045.68
    isopropyl myristate 96.77
    n-butyric acid 1352.34
    acetyl acetate 383.82
    di(2-ethylhexyl) phthalate 128.09
    ethyl propionate 231.87
    nitromethane 2478.72
    1,2-diethoxyethane 371.66
    benzonitrile 351.42
    trioctyl phosphate 98.1
    1-bromopropane 239.54
    gamma-valerolactone 1181.92
    n-decanol 108.92
    triethyl phosphate 110.95
    4-methyl-2-pentanol 227.8
    propionitrile 467.0
    vinylene carbonate 581.93
    1,1,2-trichlorotrifluoroethane 1041.61
    DMS 217.31
    cumene 63.92
    2-octanol 145.86
    2-hexanone 276.7
    octyl acetate 141.23
    limonene 114.52
    1,2-dimethoxyethane 1137.19
    ethyl orthosilicate 111.22
    tributyl phosphate 115.02
    diacetone alcohol 487.91
    N,N-dimethylaniline 150.98
    acrylonitrile 692.46
    aniline 285.64
    1,3-propanediol 1619.43
    bromobenzene 193.77
    dibromomethane 472.2
    1,1,2,2-tetrachloroethane 944.01
    2-methyl-cyclohexyl acetate 195.02
    tetrabutyl urea 141.34
    diisobutyl methanol 129.46
    2-phenylethanol 278.3
    styrene 99.14
    dioctyl adipate 161.39
    dimethyl sulfate 271.8
    ethyl butyrate 225.37
    methyl lactate 300.39
    butyl lactate 224.24
    diethyl carbonate 164.27
    propanediol butyl ether 466.93
    triethyl orthoformate 166.33
    p-tert-butyltoluene 68.98
    methyl 4-tert-butylbenzoate 230.61
    morpholine 1585.17
    tert-butylamine 686.34
    n-dodecanol 79.93
    dimethoxymethane 552.23
    ethylene carbonate 491.72
    cyrene 316.53
    2-ethoxyethyl acetate 320.84
    2-ethylhexyl acetate 223.01
    1,2,4-trichlorobenzene 288.46
    4-methylpyridine 461.81
    dibutyl ether 139.58
    2,6-dimethyl-4-heptanol 129.46
    DEF 513.83
    dimethyl isosorbide 455.2
    tetrachloroethylene 773.72
    eugenol 268.16
    triacetin 265.89
    span 80 310.6
    1,4-butanediol 618.15
    1,1-dichloroethane 488.78
    2-methyl-1-pentanol 450.25
    methyl formate 835.61
    2-methyl-1-butanol 648.73
    n-decane 15.9
    butyronitrile 487.9
    3,7-dimethyl-1-octanol 176.37
    1-chlorooctane 82.91
    1-chlorotetradecane 32.42
    n-nonane 14.79
    undecane 12.42
    tert-butylcyclohexane 25.98
    cyclooctane 15.01
    cyclopentanol 767.02
    tetrahydropyran 839.74
    tert-amyl methyl ether 355.29
    2,5,8-trioxanonane 558.68
    1-hexene 79.08
    2-isopropoxyethanol 564.79
    2,2,2-trifluoroethanol 735.83
    methyl butyrate 402.08

    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