Methyl 5-hydroxyoctanoate

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  • Identifiers

    CAS number
    101853-49-0

    Molecular formula
    C9H18O3

    SMILES
    CCCC(CCCC(=O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.96%
    Sweet 64.52%
    Oily 44.64%
    Winey 42.81%
    Pineapple 41.06%
    Tropical 39.04%
    Fresh 35.56%
    Fatty 34.12%
    Green 33.33%
    Caramellic 33.16%

     

    Flavor
    Fruity 80.38%
    Sweet 53.09%
    Pineapple 47.34%
    Tropical 46.83%
    Green 36.31%
    Oily 34.06%
    Woody 33.11%
    Fruit 32.8%
    Berry 32.55%
    Floral 31.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.54 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 102.88 ˚C est.

  • Synonyms

    • methyl 5-hydroxyoctanoate
    • 101853-49-0
    • DTXSID90761072
    • RefChem:356106
    • DTXCID90711815
    • XMQPWFCBPDENRU-UHFFFAOYSA-N
    • SCHEMBL6820469
    • 101853-49-0

  • Applications

    Methyl 5-hydroxyoctanoate (CAS 101853-49-0) is principally used as a versatile intermediate in organic synthesis and a building block for ester-based polymers. It can serve as a precursor for specialty polyesters and related plastics, enabling functionalized polymer systems. In perfumery and cosmetics, it is used as a fragrance precursor and an emollient component in formulations. It may also find use in coatings and inks as a fatty ester modifier, and as a lubricant additive in specialty lubricant formulations. All applications are formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2378.98
    methanol 4345.53
    isopropanol 1528.77
    water 5.8
    ethyl acetate 970.07
    n-propanol 1426.2
    acetone 2390.43
    n-butanol 1043.41
    acetonitrile 937.18
    DMF 3240.81
    toluene 137.92
    isobutanol 924.85
    1,4-dioxane 1333.98
    methyl acetate 744.4
    THF 2463.23
    2-butanone 997.22
    n-pentanol 663.93
    sec-butanol 934.76
    n-hexane 34.83
    ethylene glycol 552.46
    NMP 2317.02
    cyclohexane 40.2
    DMSO 5339.98
    n-butyl acetate 543.2
    n-octanol 183.28
    chloroform 961.21
    n-propyl acetate 527.29
    acetic acid 3339.33
    dichloromethane 950.88
    cyclohexanone 1467.88
    propylene glycol 761.44
    isopropyl acetate 556.12
    DMAc 1592.6
    2-ethoxyethanol 1183.08
    isopentanol 828.96
    n-heptane 12.05
    ethyl formate 639.99
    1,2-dichloroethane 780.69
    n-hexanol 428.74
    2-methoxyethanol 2461.99
    isobutyl acetate 321.62
    tetrachloromethane 131.13
    n-pentyl acetate 296.92
    transcutol 3727.08
    n-heptanol 156.18
    ethylbenzene 86.13
    MIBK 499.36
    2-propoxyethanol 855.16
    tert-butanol 1649.82
    MTBE 788.46
    2-butoxyethanol 404.27
    propionic acid 1406.01
    o-xylene 121.88
    formic acid 1637.85
    diethyl ether 695.61
    m-xylene 131.41
    p-xylene 125.47
    chlorobenzene 322.26
    dimethyl carbonate 265.32
    n-octane 5.69
    formamide 2039.06
    cyclopentanone 2036.64
    2-pentanone 933.14
    anisole 314.97
    cyclopentyl methyl ether 860.49
    gamma-butyrolactone 2456.72
    1-methoxy-2-propanol 1552.46
    pyridine 767.69
    3-pentanone 488.4
    furfural 1630.25
    n-dodecane 5.14
    diethylene glycol 789.66
    diisopropyl ether 139.74
    tert-amyl alcohol 1072.62
    acetylacetone 1113.83
    n-hexadecane 6.03
    acetophenone 363.13
    methyl propionate 686.03
    isopentyl acetate 451.45
    trichloroethylene 1577.49
    n-nonanol 146.92
    cyclohexanol 774.77
    benzyl alcohol 352.86
    2-ethylhexanol 205.85
    isooctanol 130.92
    dipropyl ether 188.25
    1,2-dichlorobenzene 315.06
    ethyl lactate 263.13
    propylene carbonate 965.41
    n-methylformamide 1787.31
    2-pentanol 592.96
    n-pentane 25.85
    1-propoxy-2-propanol 574.94
    1-methoxy-2-propyl acetate 561.22
    2-(2-methoxypropoxy) propanol 458.12
    mesitylene 86.71
    ε-caprolactone 1250.26
    p-cymene 62.09
    epichlorohydrin 1846.5
    1,1,1-trichloroethane 520.04
    2-aminoethanol 1147.42
    morpholine-4-carbaldehyde 1702.48
    sulfolane 3030.4
    2,2,4-trimethylpentane 21.73
    2-methyltetrahydrofuran 1441.28
    n-hexyl acetate 428.6
    isooctane 17.07
    2-(2-butoxyethoxy)ethanol 709.05
    sec-butyl acetate 328.59
    tert-butyl acetate 651.73
    decalin 25.61
    glycerin 1055.69
    diglyme 1253.52
    acrylic acid 1251.3
    isopropyl myristate 117.34
    n-butyric acid 1711.06
    acetyl acetate 582.62
    di(2-ethylhexyl) phthalate 154.81
    ethyl propionate 401.56
    nitromethane 3844.14
    1,2-diethoxyethane 599.68
    benzonitrile 438.59
    trioctyl phosphate 105.37
    1-bromopropane 308.77
    gamma-valerolactone 2273.33
    n-decanol 95.41
    triethyl phosphate 150.13
    4-methyl-2-pentanol 273.18
    propionitrile 614.26
    vinylene carbonate 830.96
    1,1,2-trichlorotrifluoroethane 1458.22
    DMS 366.52
    cumene 71.28
    2-octanol 109.87
    2-hexanone 576.09
    octyl acetate 162.32
    limonene 108.48
    1,2-dimethoxyethane 1438.93
    ethyl orthosilicate 143.86
    tributyl phosphate 156.75
    diacetone alcohol 868.66
    N,N-dimethylaniline 207.08
    acrylonitrile 819.74
    aniline 440.71
    1,3-propanediol 1393.29
    bromobenzene 269.09
    dibromomethane 557.12
    1,1,2,2-tetrachloroethane 1234.65
    2-methyl-cyclohexyl acetate 265.2
    tetrabutyl urea 198.44
    diisobutyl methanol 114.14
    2-phenylethanol 272.97
    styrene 119.92
    dioctyl adipate 232.36
    dimethyl sulfate 606.99
    ethyl butyrate 306.33
    methyl lactate 465.54
    butyl lactate 328.87
    diethyl carbonate 203.8
    propanediol butyl ether 591.55
    triethyl orthoformate 216.87
    p-tert-butyltoluene 62.16
    methyl 4-tert-butylbenzoate 301.54
    morpholine 2020.81
    tert-butylamine 773.62
    n-dodecanol 65.96
    dimethoxymethane 1029.1
    ethylene carbonate 672.29
    cyrene 457.38
    2-ethoxyethyl acetate 480.14
    2-ethylhexyl acetate 314.2
    1,2,4-trichlorobenzene 419.76
    4-methylpyridine 782.45
    dibutyl ether 204.97
    2,6-dimethyl-4-heptanol 114.14
    DEF 1100.48
    dimethyl isosorbide 697.35
    tetrachloroethylene 796.44
    eugenol 310.56
    triacetin 482.71
    span 80 410.9
    1,4-butanediol 494.43
    1,1-dichloroethane 622.85
    2-methyl-1-pentanol 526.97
    methyl formate 1032.7
    2-methyl-1-butanol 753.32
    n-decane 9.8
    butyronitrile 688.98
    3,7-dimethyl-1-octanol 189.12
    1-chlorooctane 76.76
    1-chlorotetradecane 23.41
    n-nonane 9.43
    undecane 6.77
    tert-butylcyclohexane 26.03
    cyclooctane 10.9
    cyclopentanol 1027.12
    tetrahydropyran 1132.82
    tert-amyl methyl ether 483.7
    2,5,8-trioxanonane 776.3
    1-hexene 169.23
    2-isopropoxyethanol 658.86
    2,2,2-trifluoroethanol 824.71
    methyl butyrate 638.39

    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