Butyl 12-hydroxyoctadecanoate

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  • Identifiers

    CAS number
    5417-30-1

    Molecular formula
    C22H44O3

    SMILES
    CCCCCCC(CCCCCCCCCCC(=O)OCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 65.74%
    Fatty 56.53%
    Fruity 56.5%
    Waxy 47.08%
    Floral 36.16%
    Sweet 32.79%
    Fresh 31.33%
    Coconut 30.28%
    Creamy 29.74%
    Citrus 28.83%

     

    Flavor
    Waxy 57.34%
    Oily 49.36%
    Fatty 45.66%
    Floral 40.45%
    Fruity 39.18%
    Soapy 38.94%
    Mild 38.37%
    Mushroom 31.25%
    Fat 31.15%
    Creamy 29.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    7.14 (neutral)

    Molecular weight
    356.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Flash point

    • 180.15 ˚C est.

  • Synonyms

    • Butyl 12-hydroxyoctadecanoate
    • 5417-30-1
    • NSC7400
    • EINECS 226-517-3
    • butyl 12-hy-droxystearate
    • SCHEMBL1683778
    • UJMGZZUDBFIODG-UHFFFAOYSA-N
    • DTXSID401260641
    • NSC 7400
    • NSC-7400
    • NS00044265
    • Octadecanoic acid, 12-hydroxy-, butyl ester
    • 5417-30-1

  • Applications

    Butyl 12-hydroxyoctadecanoate, CAS 5417-30-1, is commonly evaluated as a plasticizer and processing aid for polymers and coatings, where it can improve flexibility and film-forming characteristics in PVC and other polymer systems. It can function as an emollient and conditioning agent in cosmetics/personal care formulations due to its long-chain hydroxy fatty acid structure. It may serve as a wax-like additive or co-plastizer in coatings and inks, contributing to gloss and film properties. It can act as a lubricant or lubricant additive in industrial manufacturing and metalworking fluids. It may also be used as a solvent or co-solvent in cleaning or formulation applications for its hydrophobic character.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.79
    methanol 75.52
    isopropanol 70.02
    water 0.04
    ethyl acetate 367.8
    n-propanol 79.22
    acetone 232.33
    n-butanol 105.06
    acetonitrile 72.76
    DMF 321.3
    toluene 117.53
    isobutanol 86.17
    1,4-dioxane 364.15
    methyl acetate 198.86
    THF 987.18
    2-butanone 303.01
    n-pentanol 82.18
    sec-butanol 106.12
    n-hexane 25.47
    ethylene glycol 3.85
    NMP 824.71
    cyclohexane 162.34
    DMSO 528.83
    n-butyl acetate 428.54
    n-octanol 112.16
    chloroform 761.97
    n-propyl acetate 475.89
    acetic acid 118.22
    dichloromethane 837.17
    cyclohexanone 1083.74
    propylene glycol 14.91
    isopropyl acetate 376.88
    DMAc 664.95
    2-ethoxyethanol 189.49
    isopentanol 151.93
    n-heptane 27.63
    ethyl formate 151.27
    1,2-dichloroethane 600.58
    n-hexanol 80.94
    2-methoxyethanol 190.87
    isobutyl acetate 295.2
    tetrachloromethane 167.72
    n-pentyl acetate 662.09
    transcutol 1353.4
    n-heptanol 98.57
    ethylbenzene 95.41
    MIBK 380.68
    2-propoxyethanol 204.14
    tert-butanol 154.32
    MTBE 269.48
    2-butoxyethanol 280.84
    propionic acid 114.63
    o-xylene 117.9
    formic acid 23.02
    diethyl ether 199.01
    m-xylene 97.03
    p-xylene 146.22
    chlorobenzene 242.89
    dimethyl carbonate 69.37
    n-octane 14.38
    formamide 51.06
    cyclopentanone 933.55
    2-pentanone 374.89
    anisole 225.48
    cyclopentyl methyl ether 515.56
    gamma-butyrolactone 797.04
    1-methoxy-2-propanol 216.61
    pyridine 405.33
    3-pentanone 275.88
    furfural 557.69
    n-dodecane 8.87
    diethylene glycol 71.9
    diisopropyl ether 100.42
    tert-amyl alcohol 192.09
    acetylacetone 489.88
    n-hexadecane 11.27
    acetophenone 314.02
    methyl propionate 231.45
    isopentyl acetate 442.45
    trichloroethylene 1017.44
    n-nonanol 114.72
    cyclohexanol 275.66
    benzyl alcohol 128.22
    2-ethylhexanol 111.4
    isooctanol 112.36
    dipropyl ether 231.81
    1,2-dichlorobenzene 313.16
    ethyl lactate 136.61
    propylene carbonate 465.74
    n-methylformamide 106.62
    2-pentanol 96.43
    n-pentane 15.94
    1-propoxy-2-propanol 255.14
    1-methoxy-2-propyl acetate 392.22
    2-(2-methoxypropoxy) propanol 251.15
    mesitylene 82.34
    ε-caprolactone 912.96
    p-cymene 82.19
    epichlorohydrin 844.45
    1,1,1-trichloroethane 623.3
    2-aminoethanol 20.49
    morpholine-4-carbaldehyde 592.46
    sulfolane 1304.57
    2,2,4-trimethylpentane 22.63
    2-methyltetrahydrofuran 717.09
    n-hexyl acetate 570.81
    isooctane 12.71
    2-(2-butoxyethoxy)ethanol 372.03
    sec-butyl acetate 366.93
    tert-butyl acetate 511.48
    decalin 51.76
    glycerin 30.28
    diglyme 936.06
    acrylic acid 71.82
    isopropyl myristate 158.6
    n-butyric acid 348.33
    acetyl acetate 230.13
    di(2-ethylhexyl) phthalate 125.25
    ethyl propionate 352.54
    nitromethane 311.06
    1,2-diethoxyethane 507.93
    benzonitrile 192.88
    trioctyl phosphate 94.24
    1-bromopropane 307.92
    gamma-valerolactone 1228.32
    n-decanol 67.77
    triethyl phosphate 192.76
    4-methyl-2-pentanol 87.55
    propionitrile 99.39
    vinylene carbonate 336.17
    1,1,2-trichlorotrifluoroethane 488.37
    DMS 226.32
    cumene 75.05
    2-octanol 99.11
    2-hexanone 367.25
    octyl acetate 200.67
    limonene 170.73
    1,2-dimethoxyethane 586.37
    ethyl orthosilicate 197.11
    tributyl phosphate 137.28
    diacetone alcohol 403.7
    N,N-dimethylaniline 161.99
    acrylonitrile 100.22
    aniline 128.2
    1,3-propanediol 61.07
    bromobenzene 290.33
    dibromomethane 515.69
    1,1,2,2-tetrachloroethane 958.16
    2-methyl-cyclohexyl acetate 343.47
    tetrabutyl urea 214.76
    diisobutyl methanol 87.65
    2-phenylethanol 123.95
    styrene 113.64
    dioctyl adipate 284.49
    dimethyl sulfate 188.6
    ethyl butyrate 419.16
    methyl lactate 96.18
    butyl lactate 342.34
    diethyl carbonate 204.18
    propanediol butyl ether 217.1
    triethyl orthoformate 318.49
    p-tert-butyltoluene 76.61
    methyl 4-tert-butylbenzoate 367.3
    morpholine 545.32
    tert-butylamine 98.02
    n-dodecanol 45.43
    dimethoxymethane 221.28
    ethylene carbonate 328.88
    cyrene 258.55
    2-ethoxyethyl acetate 644.01
    2-ethylhexyl acetate 367.64
    1,2,4-trichlorobenzene 371.18
    4-methylpyridine 397.93
    dibutyl ether 326.44
    2,6-dimethyl-4-heptanol 87.65
    DEF 513.79
    dimethyl isosorbide 590.67
    tetrachloroethylene 613.83
    eugenol 259.32
    triacetin 538.64
    span 80 258.29
    1,4-butanediol 23.68
    1,1-dichloroethane 444.71
    2-methyl-1-pentanol 119.47
    methyl formate 76.06
    2-methyl-1-butanol 129.86
    n-decane 23.08
    butyronitrile 145.74
    3,7-dimethyl-1-octanol 123.62
    1-chlorooctane 131.06
    1-chlorotetradecane 34.53
    n-nonane 21.6
    undecane 13.0
    tert-butylcyclohexane 34.67
    cyclooctane 31.46
    cyclopentanol 231.3
    tetrahydropyran 674.9
    tert-amyl methyl ether 262.26
    2,5,8-trioxanonane 490.44
    1-hexene 79.18
    2-isopropoxyethanol 182.81
    2,2,2-trifluoroethanol 57.1
    methyl butyrate 547.31

    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