Methyl 5-hydroxyhexanoate

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  • Identifiers

    CAS number
    62593-13-9

    Molecular formula
    C7H14O3

    SMILES
    CC(CCCC(=O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.56%
    Sweet 49.07%
    Winey 37.78%
    Fresh 36.62%
    Tropical 36.04%
    Ethereal 34.74%
    Pineapple 33.09%
    Grape 32.7%
    Caramellic 31.92%
    Oily 31.45%

     

    Flavor
    Fruity 82.15%
    Sweet 54.33%
    Pineapple 48.71%
    Tropical 47.12%
    Green 37.89%
    Fruit 37.23%
    Bitter 34.55%
    Grape 31.41%
    Berry 30.47%
    Ripe 30.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.56 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    220°C

    Flash point

    • 90.94 ˚C est.

  • Synonyms

    • Methyl 5-hydroxyhexanoate
    • 62593-13-9
    • Hexanoic acid, 5-hydroxy-, methyl ester
    • methyl-5-hydroxyhexanoate
    • SCHEMBL4958389
    • DTXSID60462903
    • 62593-13-9

  • Applications

    Methyl 5-hydroxyhexanoate (CAS 62593-13-9) is commonly used as a fragrance intermediate and building block in perfumery, with potential use as a fragrance ingredient in cosmetics and personal care. It also serves as a chemical intermediate in the synthesis of specialty polymers and coatings, where it can function as a hydroxyl-containing monomer or chain extender for polyesters and polyurethanes. In coatings and inks, it may be employed as a reactive intermediate to impart hydroxyl functionality to formulations. It is often used as an intermediate in organic synthesis for pharmaceutical and other fine chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2001.15
    methanol 4059.81
    isopropanol 1173.16
    water 220.24
    ethyl acetate 487.8
    n-propanol 1093.35
    acetone 1504.23
    n-butanol 829.19
    acetonitrile 667.7
    DMF 3255.43
    toluene 57.68
    isobutanol 661.78
    1,4-dioxane 1000.33
    methyl acetate 527.89
    THF 1554.03
    2-butanone 568.49
    n-pentanol 430.86
    sec-butanol 717.93
    n-hexane 14.38
    ethylene glycol 1022.54
    NMP 2217.73
    cyclohexane 21.46
    DMSO 2599.55
    n-butyl acetate 192.1
    n-octanol 123.7
    chloroform 370.93
    n-propyl acetate 226.89
    acetic acid 4350.79
    dichloromethane 364.59
    cyclohexanone 882.38
    propylene glycol 1042.94
    isopropyl acetate 253.54
    DMAc 1616.73
    2-ethoxyethanol 1018.08
    isopentanol 549.29
    n-heptane 6.95
    ethyl formate 518.23
    1,2-dichloroethane 281.31
    n-hexanol 248.1
    2-methoxyethanol 2238.11
    isobutyl acetate 139.06
    tetrachloromethane 67.82
    n-pentyl acetate 143.62
    transcutol 2040.53
    n-heptanol 100.66
    ethylbenzene 34.37
    MIBK 242.32
    2-propoxyethanol 560.02
    tert-butanol 1172.11
    MTBE 407.71
    2-butoxyethanol 287.06
    propionic acid 1412.0
    o-xylene 62.21
    formic acid 3177.81
    diethyl ether 299.72
    m-xylene 60.45
    p-xylene 57.03
    chlorobenzene 122.72
    dimethyl carbonate 227.11
    n-octane 3.12
    formamide 2922.07
    cyclopentanone 1273.25
    2-pentanone 461.24
    anisole 170.78
    cyclopentyl methyl ether 479.34
    gamma-butyrolactone 1594.1
    1-methoxy-2-propanol 1229.66
    pyridine 462.77
    3-pentanone 246.5
    furfural 1231.58
    n-dodecane 3.22
    diethylene glycol 731.68
    diisopropyl ether 62.94
    tert-amyl alcohol 784.7
    acetylacetone 578.1
    n-hexadecane 3.59
    acetophenone 217.22
    methyl propionate 426.67
    isopentyl acetate 174.14
    trichloroethylene 604.35
    n-nonanol 100.45
    cyclohexanol 586.37
    benzyl alcohol 251.81
    2-ethylhexanol 103.26
    isooctanol 79.79
    dipropyl ether 81.86
    1,2-dichlorobenzene 138.57
    ethyl lactate 183.7
    propylene carbonate 643.09
    n-methylformamide 1740.39
    2-pentanol 385.46
    n-pentane 15.18
    1-propoxy-2-propanol 313.65
    1-methoxy-2-propyl acetate 247.66
    2-(2-methoxypropoxy) propanol 312.46
    mesitylene 40.41
    ε-caprolactone 827.58
    p-cymene 27.57
    epichlorohydrin 1017.56
    1,1,1-trichloroethane 198.78
    2-aminoethanol 1536.36
    morpholine-4-carbaldehyde 1676.0
    sulfolane 1666.86
    2,2,4-trimethylpentane 12.9
    2-methyltetrahydrofuran 843.44
    n-hexyl acetate 236.71
    isooctane 7.7
    2-(2-butoxyethoxy)ethanol 458.76
    sec-butyl acetate 147.7
    tert-butyl acetate 287.56
    decalin 11.21
    glycerin 1440.88
    diglyme 767.67
    acrylic acid 1383.69
    isopropyl myristate 61.21
    n-butyric acid 1259.4
    acetyl acetate 363.14
    di(2-ethylhexyl) phthalate 97.21
    ethyl propionate 193.35
    nitromethane 3546.61
    1,2-diethoxyethane 254.73
    benzonitrile 250.32
    trioctyl phosphate 62.43
    1-bromopropane 98.53
    gamma-valerolactone 1688.16
    n-decanol 64.63
    triethyl phosphate 80.81
    4-methyl-2-pentanol 165.47
    propionitrile 388.47
    vinylene carbonate 594.53
    1,1,2-trichlorotrifluoroethane 1093.32
    DMS 217.07
    cumene 31.86
    2-octanol 65.09
    2-hexanone 238.75
    octyl acetate 91.94
    limonene 49.43
    1,2-dimethoxyethane 955.8
    ethyl orthosilicate 77.17
    tributyl phosphate 88.48
    diacetone alcohol 497.48
    N,N-dimethylaniline 121.38
    acrylonitrile 560.97
    aniline 276.92
    1,3-propanediol 1566.43
    bromobenzene 80.21
    dibromomethane 185.13
    1,1,2,2-tetrachloroethane 457.84
    2-methyl-cyclohexyl acetate 126.26
    tetrabutyl urea 115.47
    diisobutyl methanol 54.08
    2-phenylethanol 160.91
    styrene 45.76
    dioctyl adipate 127.46
    dimethyl sulfate 457.47
    ethyl butyrate 123.08
    methyl lactate 399.27
    butyl lactate 177.51
    diethyl carbonate 95.34
    propanediol butyl ether 442.24
    triethyl orthoformate 103.6
    p-tert-butyltoluene 28.14
    methyl 4-tert-butylbenzoate 192.17
    morpholine 1500.87
    tert-butylamine 492.65
    n-dodecanol 43.28
    dimethoxymethane 782.46
    ethylene carbonate 466.44
    cyrene 349.35
    2-ethoxyethyl acetate 249.24
    2-ethylhexyl acetate 121.74
    1,2,4-trichlorobenzene 207.07
    4-methylpyridine 437.88
    dibutyl ether 84.71
    2,6-dimethyl-4-heptanol 54.08
    DEF 692.5
    dimethyl isosorbide 410.94
    tetrachloroethylene 348.13
    eugenol 202.01
    triacetin 290.58
    span 80 283.05
    1,4-butanediol 524.39
    1,1-dichloroethane 228.33
    2-methyl-1-pentanol 326.29
    methyl formate 1116.92
    2-methyl-1-butanol 515.07
    n-decane 5.73
    butyronitrile 402.37
    3,7-dimethyl-1-octanol 109.84
    1-chlorooctane 36.08
    1-chlorotetradecane 12.32
    n-nonane 5.3
    undecane 4.09
    tert-butylcyclohexane 11.75
    cyclooctane 5.76
    cyclopentanol 785.84
    tetrahydropyran 617.22
    tert-amyl methyl ether 284.52
    2,5,8-trioxanonane 505.73
    1-hexene 55.84
    2-isopropoxyethanol 483.12
    2,2,2-trifluoroethanol 1220.7
    methyl butyrate 298.65

    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