Methyl 3-hydroxyoctanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7367-87-5

    Molecular formula
    C9H18O3

    SMILES
    CCCCCC(CC(=O)OC)O

    Retention indicies (RI)

    • Carbowax: 1835.0

  • Odor profile

    Fragrance
    Fruity 90.0%
    Green 76.43%
    Sweet 66.09%
    Waxy 51.72%
    Floral 51.66%
    Oily 51.55%
    Winey 51.34%
    Tropical 49.3%
    Fresh 45.91%
    Apple 43.02%

     

    Flavor
    Fruity 72.76%
    Green 46.72%
    Tropical 45.87%
    Oily 42.8%
    Floral 41.16%
    Woody 39.84%
    Sweet 38.93%
    Waxy 36.43%
    Pineapple 33.55%
    Fresh 30.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.41 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    233°C

    Flash point

    • 95.78 ˚C est.

  • Synonyms

    • Methyl 3-hydroxyoctanoate
    • 7367-87-5
    • 3-hydroxyoctanoic acid methyl ester
    • 85549-54-8
    • UQU7C4XEV7
    • Octanoic acid, 3-hydroxy-, methyl ester
    • EINECS 230-917-3
    • METHYL 3-HYDROXYCAPRYLATE
    • DTXSID70276098
    • 3-Hydroxy octanoic acid methyl ester
    • DL-B-HYDROXYCAPRYLIC ACID METHYL ESTER
    • .BETA.-HYDROXYOCTANOIC ACID METHYL ESTER
    • Methyl3-hydroxyoctanoate
    • UNII-UQU7C4XEV7
    • Methyl 3-hydroxyoctanoate #
    • 3-Hydroxy C8:0 methyl ester
    • SCHEMBL1427581
    • DTXCID70227449
    • MFCD00133278
    • AKOS006271868
    • SB85093
    • SS-4994
    • PD077285
    • DB-304668
    • HY-117201
    • BETA-HYDROXYOCTANOIC ACID METHYL ESTER
    • NS00044258
    • E89406
    • 230-917-3

  • Applications

    Methyl 3-hydroxyoctanoate (CAS 7367-87-5) is a hydroxy fatty acid methyl ester that primarily serves as a chemical intermediate and building block in fragrance and flavor chemistry, providing a precursor for ester derivatives and scent compounds used in perfumery. In cosmetics and personal care it can function as an emollient and solvent or coupling reagent in formulations. In industrial manufacturing it is used as a specialty ester and processing aid, including as a starting material for the synthesis of plasticizers and biodegradable polymers such as polyhydroxyalkanoates (PHAs). It may be employed as a solvent or carrier in cleaning formulations and other processing formulations. It can also serve as a feedstock for biobased polymer chemistries and related derivatives, and as a solvent or adjuvant in agrochemical formulations to improve active ingredient delivery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2151.24
    methanol 3370.4
    isopropanol 1627.64
    water 1.9
    ethyl acetate 470.53
    n-propanol 1244.88
    acetone 1411.3
    n-butanol 1038.62
    acetonitrile 513.83
    DMF 1920.35
    toluene 93.17
    isobutanol 832.95
    1,4-dioxane 1192.54
    methyl acetate 432.09
    THF 1809.5
    2-butanone 560.47
    n-pentanol 551.12
    sec-butanol 830.67
    n-hexane 23.82
    ethylene glycol 588.28
    NMP 1025.72
    cyclohexane 39.74
    DMSO 2712.17
    n-butyl acetate 295.43
    n-octanol 153.16
    chloroform 765.31
    n-propyl acetate 248.25
    acetic acid 1549.79
    dichloromethane 600.32
    cyclohexanone 958.28
    propylene glycol 1039.52
    isopropyl acetate 273.87
    DMAc 854.7
    2-ethoxyethanol 763.83
    isopentanol 715.12
    n-heptane 11.06
    ethyl formate 367.22
    1,2-dichloroethane 476.17
    n-hexanol 459.57
    2-methoxyethanol 1905.06
    isobutyl acetate 171.34
    tetrachloromethane 89.48
    n-pentyl acetate 144.03
    transcutol 1699.02
    n-heptanol 142.03
    ethylbenzene 61.96
    MIBK 290.7
    2-propoxyethanol 727.16
    tert-butanol 1637.32
    MTBE 473.4
    2-butoxyethanol 314.94
    propionic acid 806.27
    o-xylene 86.97
    formic acid 593.2
    diethyl ether 335.46
    m-xylene 100.87
    p-xylene 89.0
    chlorobenzene 188.49
    dimethyl carbonate 121.84
    n-octane 5.02
    formamide 595.16
    cyclopentanone 1124.56
    2-pentanone 494.45
    anisole 194.95
    cyclopentyl methyl ether 528.29
    gamma-butyrolactone 1183.23
    1-methoxy-2-propanol 1259.2
    pyridine 505.31
    3-pentanone 247.14
    furfural 821.81
    n-dodecane 5.25
    diethylene glycol 742.32
    diisopropyl ether 79.77
    tert-amyl alcohol 919.26
    acetylacetone 539.17
    n-hexadecane 5.98
    acetophenone 205.28
    methyl propionate 351.31
    isopentyl acetate 267.38
    trichloroethylene 886.17
    n-nonanol 123.0
    cyclohexanol 724.74
    benzyl alcohol 255.05
    2-ethylhexanol 182.84
    isooctanol 113.64
    dipropyl ether 134.07
    1,2-dichlorobenzene 181.51
    ethyl lactate 176.72
    propylene carbonate 528.11
    n-methylformamide 851.89
    2-pentanol 485.28
    n-pentane 18.04
    1-propoxy-2-propanol 460.24
    1-methoxy-2-propyl acetate 315.78
    2-(2-methoxypropoxy) propanol 316.65
    mesitylene 68.52
    ε-caprolactone 662.41
    p-cymene 50.26
    epichlorohydrin 1116.4
    1,1,1-trichloroethane 401.02
    2-aminoethanol 1099.03
    morpholine-4-carbaldehyde 963.04
    sulfolane 1478.84
    2,2,4-trimethylpentane 14.79
    2-methyltetrahydrofuran 928.05
    n-hexyl acetate 243.56
    isooctane 12.85
    2-(2-butoxyethoxy)ethanol 474.6
    sec-butyl acetate 153.37
    tert-butyl acetate 332.29
    decalin 21.45
    glycerin 1019.8
    diglyme 787.36
    acrylic acid 628.79
    isopropyl myristate 81.11
    n-butyric acid 1051.27
    acetyl acetate 258.88
    di(2-ethylhexyl) phthalate 108.55
    ethyl propionate 189.43
    nitromethane 1428.87
    1,2-diethoxyethane 278.11
    benzonitrile 278.8
    trioctyl phosphate 81.87
    1-bromopropane 216.8
    gamma-valerolactone 1274.04
    n-decanol 84.94
    triethyl phosphate 89.82
    4-methyl-2-pentanol 228.67
    propionitrile 427.33
    vinylene carbonate 440.44
    1,1,2-trichlorotrifluoroethane 932.35
    DMS 184.41
    cumene 52.87
    2-octanol 95.65
    2-hexanone 294.13
    octyl acetate 112.24
    limonene 87.62
    1,2-dimethoxyethane 965.27
    ethyl orthosilicate 87.47
    tributyl phosphate 101.05
    diacetone alcohol 584.52
    N,N-dimethylaniline 131.39
    acrylonitrile 507.17
    aniline 278.22
    1,3-propanediol 1357.22
    bromobenzene 160.75
    dibromomethane 391.46
    1,1,2,2-tetrachloroethane 831.84
    2-methyl-cyclohexyl acetate 162.85
    tetrabutyl urea 132.53
    diisobutyl methanol 100.89
    2-phenylethanol 223.97
    styrene 79.71
    dioctyl adipate 148.11
    dimethyl sulfate 260.78
    ethyl butyrate 174.38
    methyl lactate 322.98
    butyl lactate 192.87
    diethyl carbonate 116.34
    propanediol butyl ether 453.08
    triethyl orthoformate 123.33
    p-tert-butyltoluene 52.07
    methyl 4-tert-butylbenzoate 202.85
    morpholine 1760.82
    tert-butylamine 660.12
    n-dodecanol 59.79
    dimethoxymethane 584.63
    ethylene carbonate 378.54
    cyrene 299.52
    2-ethoxyethyl acetate 222.65
    2-ethylhexyl acetate 180.16
    1,2,4-trichlorobenzene 232.19
    4-methylpyridine 458.99
    dibutyl ether 119.52
    2,6-dimethyl-4-heptanol 100.89
    DEF 536.82
    dimethyl isosorbide 452.78
    tetrachloroethylene 495.64
    eugenol 221.65
    triacetin 251.69
    span 80 303.94
    1,4-butanediol 448.36
    1,1-dichloroethane 481.94
    2-methyl-1-pentanol 387.35
    methyl formate 518.17
    2-methyl-1-butanol 575.26
    n-decane 8.77
    butyronitrile 528.49
    3,7-dimethyl-1-octanol 153.45
    1-chlorooctane 57.19
    1-chlorotetradecane 20.65
    n-nonane 8.17
    undecane 6.44
    tert-butylcyclohexane 20.67
    cyclooctane 9.95
    cyclopentanol 979.94
    tetrahydropyran 1043.98
    tert-amyl methyl ether 276.53
    2,5,8-trioxanonane 527.97
    1-hexene 117.03
    2-isopropoxyethanol 436.61
    2,2,2-trifluoroethanol 333.93
    methyl butyrate 321.01

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.07%