Methyl 12-hydroxystearate

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  • Identifiers

    CAS number
    141-23-1

    Molecular formula
    C19H38O3

    SMILES
    CCCCCCC(CCCCCCCCCCC(=O)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 63.53%
    Fatty 60.49%
    Waxy 53.16%
    Fruity 51.64%
    Floral 38.57%
    Fresh 35.04%
    Sweet 34.43%
    Citrus 33.34%
    Coconut 31.0%
    Creamy 30.78%

     

    Flavor
    Waxy 58.24%
    Fatty 47.02%
    Oily 46.35%
    Floral 39.84%
    Soapy 37.62%
    Mild 36.86%
    Fat 33.68%
    Fruity 30.31%
    Coconut 30.28%
    Mushroom 28.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.14 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Melting point expt.

    • 48 °C

    Flash point

    • 164.56 ˚C est.

    Solubility expt.

    • INSOL IN WATER; LIMITED SOLUBILITY IN ORGANIC SOLVENTS

  • Synonyms

    • Methyl 12-hydroxyoctadecanoate
    • 141-23-1
    • METHYL 12-HYDROXYSTEARATE
    • Octadecanoic acid, 12-hydroxy-, methyl ester
    • Kemester 1288
    • Methyl hydroxystearate
    • 12-Hydroxystearic acid, methyl ester
    • Paracin 1
    • Methyl-12-hydroxystearate
    • Stearic acid, 12-hydroxy-, methyl ester
    • P7UC7KGL82
    • Methyl-12-hydroxyoctadecanoate
    • DTXSID8027086
    • NSC-2392
    • DTXCID507086
    • AEC METHYL HYDROXYSTEARATE
    • RefChem:812784
    • DTXCID401776676
    • DTXSID901347937
    • 205-471-8
    • 12-Hydroxystearic acid methyl ester
    • NSC 2392
    • 12-Hydroxyoctadecanoic acid, methyl ester
    • HSDB 5635
    • EINECS 205-471-8
    • UNII-P7UC7KGL82
    • 12-Hydroxyoctadecanoic acid methyl ester
    • AI3-19731
    • 12-Hydroxyoctadecanoic acid methyl ester; 12-Hydroxyoctadecanoic acid methyl ester; Methyl 12-hydroxyoctadecanoate; Methyl 12-hydroxystearate
    • MFCD00046706
    • Octadecanoic acid, 12-hydroxy-, (R-(Z))-
    • methyl 12-hydroxyoctadecanate
    • Methyl12-hydroxyoctadecanoate
    • SCHEMBL293897
    • Methyl 12-hydroxystearate CRS
    • orb2944009
    • CHEMBL2139695
    • NSC2392
    • Methyl 12-hydroxystearate C18:0
    • Tox21_303267
    • WLN: Q3Y6 & 10VO1
    • AKOS015913955
    • HY-W127376
    • METHYL DL-12-HYDROXYOCTADECANOATE
    • NCGC00164387-01
    • NCGC00256944-01
    • CAS-141-23-1
    • METHYL 12-HYDROXYSTEARATE [HSDB]
    • (+/-)-METHYL 12-HYDROXYSTEARATE
    • Methyl 12-hydroxystearate, >=99% (GC)
    • METHYL 12-HYDROXYSTEARATE [USP-RS]
    • CS-0185613
    • NS00013857
    • METHYL 12-HYDROXYSTEARATE, (+/-)-
    • G72491
    • Q27286334
    • Methyl 12-hydroxystearate, European Pharmacopoeia (EP) Reference Standard
    • Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard
    • 141-23-1

  • Applications

    Methyl 12-hydroxystearate (CAS 141-23-1) is used primarily as an intermediate for hydroxy-fatty-acid-derived esters and polymers; it can function as a plasticizer and lubricity additive in polymers, coatings and industrial lubricants; as a waxy ester it serves as a rheology modifier and thickener in coatings, inks and some cosmetic formulations; it can be a building block for surfactant precursors and other specialty esters; in cosmetics and personal care it may be used as an emollient or conditioning ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.86
    methanol 82.3
    isopropanol 78.78
    water 0.01
    ethyl acetate 303.67
    n-propanol 76.46
    acetone 192.59
    n-butanol 92.58
    acetonitrile 59.72
    DMF 321.55
    toluene 86.66
    isobutanol 78.26
    1,4-dioxane 340.86
    methyl acetate 164.65
    THF 910.29
    2-butanone 250.87
    n-pentanol 73.86
    sec-butanol 91.43
    n-hexane 13.44
    ethylene glycol 3.83
    NMP 607.92
    cyclohexane 75.45
    DMSO 561.67
    n-butyl acetate 328.79
    n-octanol 71.77
    chloroform 621.3
    n-propyl acetate 387.92
    acetic acid 94.04
    dichloromethane 638.73
    cyclohexanone 826.59
    propylene glycol 15.69
    isopropyl acetate 298.68
    DMAc 548.2
    2-ethoxyethanol 215.99
    isopentanol 132.7
    n-heptane 13.98
    ethyl formate 126.47
    1,2-dichloroethane 468.24
    n-hexanol 71.92
    2-methoxyethanol 228.81
    isobutyl acetate 230.96
    tetrachloromethane 120.72
    n-pentyl acetate 400.01
    transcutol 1311.84
    n-heptanol 66.34
    ethylbenzene 70.67
    MIBK 298.91
    2-propoxyethanol 206.69
    tert-butanol 171.42
    MTBE 262.18
    2-butoxyethanol 217.04
    propionic acid 91.66
    o-xylene 84.92
    formic acid 18.26
    diethyl ether 176.88
    m-xylene 75.06
    p-xylene 100.71
    chlorobenzene 167.64
    dimethyl carbonate 53.87
    n-octane 6.9
    formamide 42.3
    cyclopentanone 765.88
    2-pentanone 314.33
    anisole 185.68
    cyclopentyl methyl ether 416.28
    gamma-butyrolactone 639.96
    1-methoxy-2-propanol 244.76
    pyridine 312.84
    3-pentanone 205.74
    furfural 476.56
    n-dodecane 4.46
    diethylene glycol 78.11
    diisopropyl ether 78.0
    tert-amyl alcohol 178.21
    acetylacetone 410.89
    n-hexadecane 5.66
    acetophenone 243.48
    methyl propionate 187.83
    isopentyl acetate 337.51
    trichloroethylene 827.93
    n-nonanol 72.83
    cyclohexanol 205.3
    benzyl alcohol 112.72
    2-ethylhexanol 85.43
    isooctanol 77.47
    dipropyl ether 177.3
    1,2-dichlorobenzene 217.52
    ethyl lactate 112.16
    propylene carbonate 351.48
    n-methylformamide 96.02
    2-pentanol 79.3
    n-pentane 8.69
    1-propoxy-2-propanol 230.31
    1-methoxy-2-propyl acetate 338.01
    2-(2-methoxypropoxy) propanol 213.99
    mesitylene 60.47
    ε-caprolactone 663.45
    p-cymene 55.88
    epichlorohydrin 752.19
    1,1,1-trichloroethane 468.54
    2-aminoethanol 21.23
    morpholine-4-carbaldehyde 515.78
    sulfolane 1094.36
    2,2,4-trimethylpentane 13.74
    2-methyltetrahydrofuran 600.55
    n-hexyl acetate 355.71
    isooctane 8.3
    2-(2-butoxyethoxy)ethanol 317.86
    sec-butyl acetate 283.34
    tert-butyl acetate 423.93
    decalin 28.85
    glycerin 32.15
    diglyme 781.67
    acrylic acid 55.42
    isopropyl myristate 101.77
    n-butyric acid 273.05
    acetyl acetate 183.22
    di(2-ethylhexyl) phthalate 85.5
    ethyl propionate 284.95
    nitromethane 271.21
    1,2-diethoxyethane 408.85
    benzonitrile 154.44
    trioctyl phosphate 62.3
    1-bromopropane 227.3
    gamma-valerolactone 1050.88
    n-decanol 43.31
    triethyl phosphate 141.07
    4-methyl-2-pentanol 73.31
    propionitrile 81.52
    vinylene carbonate 250.19
    1,1,2-trichlorotrifluoroethane 460.82
    DMS 168.6
    cumene 53.05
    2-octanol 62.02
    2-hexanone 303.63
    octyl acetate 126.59
    limonene 113.28
    1,2-dimethoxyethane 590.51
    ethyl orthosilicate 143.45
    tributyl phosphate 92.31
    diacetone alcohol 362.05
    N,N-dimethylaniline 129.01
    acrylonitrile 86.79
    aniline 103.06
    1,3-propanediol 60.66
    bromobenzene 203.09
    dibromomethane 386.09
    1,1,2,2-tetrachloroethane 823.44
    2-methyl-cyclohexyl acetate 256.86
    tetrabutyl urea 139.31
    diisobutyl methanol 66.5
    2-phenylethanol 105.82
    styrene 85.42
    dioctyl adipate 191.16
    dimethyl sulfate 157.98
    ethyl butyrate 310.93
    methyl lactate 81.75
    butyl lactate 228.86
    diethyl carbonate 153.38
    propanediol butyl ether 177.63
    triethyl orthoformate 240.53
    p-tert-butyltoluene 54.37
    methyl 4-tert-butylbenzoate 253.3
    morpholine 537.79
    tert-butylamine 95.67
    n-dodecanol 28.86
    dimethoxymethane 221.58
    ethylene carbonate 241.71
    cyrene 219.42
    2-ethoxyethyl acetate 448.03
    2-ethylhexyl acetate 265.56
    1,2,4-trichlorobenzene 262.38
    4-methylpyridine 305.79
    dibutyl ether 206.29
    2,6-dimethyl-4-heptanol 66.5
    DEF 422.39
    dimethyl isosorbide 499.92
    tetrachloroethylene 491.38
    eugenol 195.47
    triacetin 379.75
    span 80 201.42
    1,4-butanediol 22.72
    1,1-dichloroethane 348.23
    2-methyl-1-pentanol 106.6
    methyl formate 64.76
    2-methyl-1-butanol 107.35
    n-decane 11.41
    butyronitrile 123.0
    3,7-dimethyl-1-octanol 85.46
    1-chlorooctane 75.88
    1-chlorotetradecane 20.25
    n-nonane 10.72
    undecane 6.51
    tert-butylcyclohexane 20.88
    cyclooctane 14.5
    cyclopentanol 188.85
    tetrahydropyran 548.11
    tert-amyl methyl ether 224.8
    2,5,8-trioxanonane 432.75
    1-hexene 56.89
    2-isopropoxyethanol 187.92
    2,2,2-trifluoroethanol 41.24
    methyl butyrate 441.59

    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