9,10-Dihydroxystearic acid

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  • Identifiers

    CAS number
    120-87-6

    Molecular formula
    C18H36O4

    SMILES
    CCCCCCCCC(C(CCCCCCCC(=O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 41.34%
    Oily 40.48%
    Fatty 39.69%
    Odorless 38.52%
    Fresh 31.75%
    Lactonic 29.77%
    Citrus 29.43%
    Milky 26.79%
    Peach 26.13%
    Coconut 25.12%

     

    Flavor
    Fatty 42.16%
    Odorless 38.1%
    Mild 37.79%
    Waxy 37.7%
    Oily 30.69%
    Bland 29.3%
    Fat 25.0%
    Bay oil 23.38%
    Slightly waxy 23.04%
    Cultured dairy 22.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.05 (neutral)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    426°C

    Flash point

    • 209.99 ˚C est.

  • Synonyms

    • 9,10-Dihydroxystearic acid
    • 9,10-Dihydroxyoctadecanoic acid
    • 120-87-6
    • Dioxystearinsaeure
    • 9,10-dihydroxy-octadecanoic acid
    • 9,10-Dihydroxystearinsaeure
    • 6C8DC6UQ5A
    • CHEBI:28724
    • DTXSID30870475
    • NSC-60305
    • RefChem:548772
    • DTXCID60219717
    • 204-432-2
    • MFCD00046726
    • 9,10-Dihydroxystearate
    • C18H36O4
    • Octadecanoic acid, 9,10-dihydroxy-
    • trans-9,10-Dihydroxystearic Acid
    • NSC60305
    • rac threo-9,10-Dihydroxystearic Acid
    • (+/-)-Erythro-9,10-dihydroxyoctadecanoic acid
    • (9R,10R)-rel-9,10-Dihydroxyoctadecanoic Acid
    • DHSA
    • UNII-6C8DC6UQ5A
    • Contracyn
    • EINECS 204-432-2
    • NSC 60305
    • AI3-14192
    • NCIOpen2_007703
    • SCHEMBL317522
    • CHEMBL4747409
    • 9,10-DHSA
    • Octadecanoic acid,10-dihydroxy-
    • 9,10-diOH C18:0
    • 9,10-diOH 18:0
    • HY-N8522
    • EINECS 300-158-3
    • theta, etha - Dihydroxystearic acid
    • AC9026
    • LMFA02000142
    • AKOS000277636
    • AKOS024319019
    • FD39735
    • 9,10-Dihydroxyoctadecanoic acid, threo-
    • DA-70396
    • SY263007
    • HY-166044
    • CS-0145562
    • NS00010583
    • C19622
    • EN300-18537468
    • J-015271
    • Q27103863
    • Calcium (9 or 10)-hydroxy-(10 or 9)-oxidooctadecanoate
    • 9,10-Dihydroxyoctadecanoic acid, 9,10-Dihydroxystearic acid, NSC 60305
    • 120-87-6

  • Applications

    9,10-Dihydroxystearic acid (CAS 120-87-6) is principally used as a diol building block for polymer synthesis in plastics and elastomer industries, serving as a monomer or crosslinking extender for polyesters and polyurethanes; it is a potential component for specialty coatings and paints such as alkyd resins, where it can act as a crosslinking or chain-extending agent; it can function as a polyol in adhesive formulations and related binders; in cosmetics and personal care, it is used as a fatty diol-derived intermediate to prepare esters for emollients and functional ingredients; in broader industrial manufacturing, it serves as a polyol intermediate for resin systems and can be explored as a plasticizer or compatibility modifier in coatings, adhesives, and related products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.72
    methanol 96.92
    isopropanol 40.71
    water 0.09
    ethyl acetate 32.92
    n-propanol 41.63
    acetone 42.35
    n-butanol 39.66
    acetonitrile 7.53
    DMF 132.27
    toluene 11.41
    isobutanol 33.66
    1,4-dioxane 70.25
    methyl acetate 23.83
    THF 306.5
    2-butanone 40.11
    n-pentanol 39.57
    sec-butanol 34.54
    n-hexane 3.87
    ethylene glycol 7.63
    NMP 239.6
    cyclohexane 9.32
    DMSO 456.8
    n-butyl acetate 66.58
    n-octanol 39.8
    chloroform 46.11
    n-propyl acetate 64.65
    acetic acid 50.34
    dichloromethane 46.63
    cyclohexanone 159.36
    propylene glycol 22.63
    isopropyl acetate 51.49
    DMAc 206.3
    2-ethoxyethanol 114.59
    isopentanol 54.16
    n-heptane 3.78
    ethyl formate 24.39
    1,2-dichloroethane 52.9
    n-hexanol 39.99
    2-methoxyethanol 133.99
    isobutyl acetate 49.57
    tetrachloromethane 13.09
    n-pentyl acetate 89.34
    transcutol 495.11
    n-heptanol 42.63
    ethylbenzene 15.32
    MIBK 67.08
    2-propoxyethanol 119.39
    tert-butanol 82.0
    MTBE 52.59
    2-butoxyethanol 118.71
    propionic acid 39.19
    o-xylene 18.35
    formic acid 24.73
    diethyl ether 24.85
    m-xylene 16.92
    p-xylene 19.0
    chlorobenzene 19.31
    dimethyl carbonate 17.59
    n-octane 2.67
    formamide 42.21
    cyclopentanone 185.35
    2-pentanone 52.03
    anisole 34.92
    cyclopentyl methyl ether 100.74
    gamma-butyrolactone 176.52
    1-methoxy-2-propanol 135.49
    pyridine 43.64
    3-pentanone 34.0
    furfural 121.51
    n-dodecane 1.97
    diethylene glycol 74.76
    diisopropyl ether 18.19
    tert-amyl alcohol 68.58
    acetylacetone 91.16
    n-hexadecane 2.28
    acetophenone 56.83
    methyl propionate 32.46
    isopentyl acetate 81.02
    trichloroethylene 82.5
    n-nonanol 39.59
    cyclohexanol 65.41
    benzyl alcohol 36.07
    2-ethylhexanol 34.36
    isooctanol 41.75
    dipropyl ether 37.33
    1,2-dichlorobenzene 28.97
    ethyl lactate 42.84
    propylene carbonate 90.55
    n-methylformamide 42.13
    2-pentanol 30.73
    n-pentane 2.17
    1-propoxy-2-propanol 109.48
    1-methoxy-2-propyl acetate 94.77
    2-(2-methoxypropoxy) propanol 100.58
    mesitylene 15.54
    ε-caprolactone 152.38
    p-cymene 15.49
    epichlorohydrin 141.75
    1,1,1-trichloroethane 40.78
    2-aminoethanol 30.42
    morpholine-4-carbaldehyde 180.48
    sulfolane 420.81
    2,2,4-trimethylpentane 4.4
    2-methyltetrahydrofuran 127.77
    n-hexyl acetate 92.45
    isooctane 3.16
    2-(2-butoxyethoxy)ethanol 163.5
    sec-butyl acetate 52.43
    tert-butyl acetate 101.07
    decalin 7.52
    glycerin 47.76
    diglyme 288.13
    acrylic acid 28.38
    isopropyl myristate 32.24
    n-butyric acid 79.18
    acetyl acetate 31.33
    di(2-ethylhexyl) phthalate 36.45
    ethyl propionate 45.36
    nitromethane 73.89
    1,2-diethoxyethane 103.88
    benzonitrile 28.0
    trioctyl phosphate 30.38
    1-bromopropane 21.35
    gamma-valerolactone 269.95
    n-decanol 25.85
    triethyl phosphate 36.79
    4-methyl-2-pentanol 32.1
    propionitrile 10.71
    vinylene carbonate 56.71
    1,1,2-trichlorotrifluoroethane 144.45
    DMS 48.25
    cumene 15.53
    2-octanol 32.23
    2-hexanone 60.51
    octyl acetate 41.06
    limonene 25.92
    1,2-dimethoxyethane 158.29
    ethyl orthosilicate 39.0
    tributyl phosphate 35.42
    diacetone alcohol 146.6
    N,N-dimethylaniline 36.53
    acrylonitrile 13.45
    aniline 21.64
    1,3-propanediol 60.3
    bromobenzene 19.39
    dibromomethane 31.7
    1,1,2,2-tetrachloroethane 97.64
    2-methyl-cyclohexyl acetate 68.12
    tetrabutyl urea 54.65
    diisobutyl methanol 26.91
    2-phenylethanol 39.91
    styrene 14.37
    dioctyl adipate 60.21
    dimethyl sulfate 57.76
    ethyl butyrate 56.14
    methyl lactate 44.08
    butyl lactate 88.56
    diethyl carbonate 31.12
    propanediol butyl ether 113.96
    triethyl orthoformate 54.5
    p-tert-butyltoluene 17.08
    methyl 4-tert-butylbenzoate 89.07
    morpholine 128.15
    tert-butylamine 40.24
    n-dodecanol 17.53
    dimethoxymethane 79.68
    ethylene carbonate 52.42
    cyrene 107.33
    2-ethoxyethyl acetate 108.49
    2-ethylhexyl acetate 58.91
    1,2,4-trichlorobenzene 37.89
    4-methylpyridine 40.93
    dibutyl ether 47.04
    2,6-dimethyl-4-heptanol 26.91
    DEF 86.9
    dimethyl isosorbide 187.35
    tetrachloroethylene 68.71
    eugenol 80.39
    triacetin 106.86
    span 80 97.85
    1,4-butanediol 25.33
    1,1-dichloroethane 28.29
    2-methyl-1-pentanol 47.82
    methyl formate 25.44
    2-methyl-1-butanol 41.96
    n-decane 4.17
    butyronitrile 17.38
    3,7-dimethyl-1-octanol 42.16
    1-chlorooctane 21.54
    1-chlorotetradecane 6.76
    n-nonane 3.65
    undecane 2.73
    tert-butylcyclohexane 6.42
    cyclooctane 3.77
    cyclopentanol 71.05
    tetrahydropyran 89.75
    tert-amyl methyl ether 52.0
    2,5,8-trioxanonane 178.27
    1-hexene 12.59
    2-isopropoxyethanol 92.04
    2,2,2-trifluoroethanol 24.37
    methyl butyrate 71.89

    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