3-hydroxypropyl (E)-octadec-9-enoate

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  • Identifiers

    CAS number
    31394-71-5

    Molecular formula
    C21H40O3

    SMILES
    CCCCCCCC/C=C/CCCCCCCC(=O)OCCCO

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.83%
    Waxy 61.2%
    Oily 60.83%
    Sweet 37.14%
    Fruity 35.0%
    Odorless 27.61%
    Creamy 26.08%
    Floral 24.83%
    Buttery 23.45%
    Dairy 22.71%

     

    Flavor
    Waxy 62.64%
    Fatty 41.36%
    Oily 40.57%
    Soapy 36.65%
    Mild 33.88%
    Fruity 31.78%
    Creamy 28.8%
    Faint 27.36%
    Clean 26.77%
    Floral 25.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.14 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 193.61 ˚C est.

  • Synonyms

    • 3-hydroxypropyl (E)-octadec-9-enoate
    • 31394-71-5
    • SCHEMBL1091986
    • YWBLIYFXWVRDAA-MDZDMXLPSA-N
    • NS00014007
    • 31394-71-5

  • Applications

    3-hydroxypropyl (E)-octadec-9-enoate (CAS 31394-71-5) is used as an emollient and solvent in cosmetics and personal care, providing skin conditioning and aiding the dissolution of active ingredients. In polymers and coatings, it acts as a plasticizer and processing solvent for polyesters and biopolymers, improving flexibility and film formation. It can serve as an intermediate or additive in chemical synthesis and in adhesive formulations to enhance compatibility and adhesion. Additionally, as a fatty-acid ester, it may function as a processing aid and component in cleaning and industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.87
    methanol 108.58
    isopropanol 92.62
    water 0.04
    ethyl acetate 293.04
    n-propanol 101.3
    acetone 249.35
    n-butanol 126.5
    acetonitrile 76.9
    DMF 326.73
    toluene 89.12
    isobutanol 102.5
    1,4-dioxane 302.68
    methyl acetate 168.52
    THF 812.18
    2-butanone 270.82
    n-pentanol 98.38
    sec-butanol 118.51
    n-hexane 24.67
    ethylene glycol 6.1
    NMP 642.42
    cyclohexane 133.09
    DMSO 684.27
    n-butyl acetate 282.74
    n-octanol 87.66
    chloroform 578.58
    n-propyl acetate 359.36
    acetic acid 126.93
    dichloromethane 670.48
    cyclohexanone 780.76
    propylene glycol 23.31
    isopropyl acetate 286.05
    DMAc 615.54
    2-ethoxyethanol 211.7
    isopentanol 167.86
    n-heptane 24.73
    ethyl formate 124.95
    1,2-dichloroethane 495.46
    n-hexanol 81.25
    2-methoxyethanol 222.98
    isobutyl acetate 233.65
    tetrachloromethane 129.69
    n-pentyl acetate 417.14
    transcutol 1208.09
    n-heptanol 82.17
    ethylbenzene 78.03
    MIBK 320.0
    2-propoxyethanol 193.08
    tert-butanol 184.38
    MTBE 250.2
    2-butoxyethanol 226.63
    propionic acid 115.36
    o-xylene 92.1
    formic acid 27.68
    diethyl ether 204.79
    m-xylene 80.76
    p-xylene 106.76
    chlorobenzene 158.77
    dimethyl carbonate 67.74
    n-octane 12.84
    formamide 59.05
    cyclopentanone 699.29
    2-pentanone 335.94
    anisole 180.23
    cyclopentyl methyl ether 426.51
    gamma-butyrolactone 577.18
    1-methoxy-2-propanol 251.92
    pyridine 278.49
    3-pentanone 248.64
    furfural 405.13
    n-dodecane 8.25
    diethylene glycol 81.41
    diisopropyl ether 91.83
    tert-amyl alcohol 196.32
    acetylacetone 406.43
    n-hexadecane 10.09
    acetophenone 239.8
    methyl propionate 206.99
    isopentyl acetate 285.13
    trichloroethylene 756.24
    n-nonanol 87.63
    cyclohexanol 254.99
    benzyl alcohol 114.21
    2-ethylhexanol 94.94
    isooctanol 94.69
    dipropyl ether 195.93
    1,2-dichlorobenzene 206.77
    ethyl lactate 123.41
    propylene carbonate 338.96
    n-methylformamide 107.42
    2-pentanol 108.87
    n-pentane 17.95
    1-propoxy-2-propanol 219.83
    1-methoxy-2-propyl acetate 295.22
    2-(2-methoxypropoxy) propanol 210.83
    mesitylene 69.9
    ε-caprolactone 644.15
    p-cymene 63.22
    epichlorohydrin 663.16
    1,1,1-trichloroethane 460.69
    2-aminoethanol 31.15
    morpholine-4-carbaldehyde 485.67
    sulfolane 1003.86
    2,2,4-trimethylpentane 23.48
    2-methyltetrahydrofuran 557.89
    n-hexyl acetate 383.15
    isooctane 12.94
    2-(2-butoxyethoxy)ethanol 310.72
    sec-butyl acetate 263.13
    tert-butyl acetate 399.56
    decalin 45.08
    glycerin 42.72
    diglyme 725.22
    acrylic acid 73.62
    isopropyl myristate 112.96
    n-butyric acid 310.21
    acetyl acetate 174.0
    di(2-ethylhexyl) phthalate 96.07
    ethyl propionate 269.73
    nitromethane 287.39
    1,2-diethoxyethane 396.66
    benzonitrile 144.24
    trioctyl phosphate 74.16
    1-bromopropane 260.81
    gamma-valerolactone 855.52
    n-decanol 54.39
    triethyl phosphate 144.16
    4-methyl-2-pentanol 87.92
    propionitrile 96.87
    vinylene carbonate 237.29
    1,1,2-trichlorotrifluoroethane 434.92
    DMS 172.37
    cumene 62.86
    2-octanol 75.8
    2-hexanone 307.27
    octyl acetate 140.84
    limonene 128.5
    1,2-dimethoxyethane 496.8
    ethyl orthosilicate 148.99
    tributyl phosphate 103.15
    diacetone alcohol 362.47
    N,N-dimethylaniline 138.67
    acrylonitrile 95.95
    aniline 106.77
    1,3-propanediol 79.12
    bromobenzene 188.51
    dibromomethane 421.97
    1,1,2,2-tetrachloroethane 765.48
    2-methyl-cyclohexyl acetate 246.29
    tetrabutyl urea 160.19
    diisobutyl methanol 75.81
    2-phenylethanol 103.98
    styrene 91.36
    dioctyl adipate 205.45
    dimethyl sulfate 175.87
    ethyl butyrate 281.98
    methyl lactate 99.92
    butyl lactate 251.01
    diethyl carbonate 149.55
    propanediol butyl ether 191.87
    triethyl orthoformate 223.22
    p-tert-butyltoluene 60.47
    methyl 4-tert-butylbenzoate 271.2
    morpholine 478.97
    tert-butylamine 116.49
    n-dodecanol 37.79
    dimethoxymethane 247.01
    ethylene carbonate 233.24
    cyrene 225.32
    2-ethoxyethyl acetate 440.05
    2-ethylhexyl acetate 235.27
    1,2,4-trichlorobenzene 240.99
    4-methylpyridine 282.3
    dibutyl ether 232.77
    2,6-dimethyl-4-heptanol 75.81
    DEF 427.84
    dimethyl isosorbide 444.17
    tetrachloroethylene 476.8
    eugenol 199.83
    triacetin 404.01
    span 80 208.13
    1,4-butanediol 31.71
    1,1-dichloroethane 360.33
    2-methyl-1-pentanol 126.91
    methyl formate 71.04
    2-methyl-1-butanol 143.14
    n-decane 18.85
    butyronitrile 142.79
    3,7-dimethyl-1-octanol 98.38
    1-chlorooctane 95.44
    1-chlorotetradecane 28.28
    n-nonane 18.42
    undecane 11.62
    tert-butylcyclohexane 30.49
    cyclooctane 28.72
    cyclopentanol 214.9
    tetrahydropyran 564.52
    tert-amyl methyl ether 229.14
    2,5,8-trioxanonane 406.27
    1-hexene 76.33
    2-isopropoxyethanol 187.92
    2,2,2-trifluoroethanol 54.79
    methyl butyrate 402.99

    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