Icosan-9-YL 12-hydroxyoctadec-9-enoate

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  • Identifiers

    CAS number
    125093-27-8

    Molecular formula
    C38H74O3

    SMILES
    CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCC=CC[C@@H](CCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.1%
    Oily 58.5%
    Waxy 53.74%
    Fruity 39.69%
    Floral 26.19%
    Odorless 26.16%
    Milky 23.54%
    Citrus 22.82%
    Sweet 22.75%
    Dairy 22.53%

     

    Flavor
    Waxy 38.24%
    Fatty 35.08%
    Mild 32.76%
    Bland 31.1%
    Faint 30.65%
    Oily 28.71%
    Fat 25.35%
    Slightly waxy 23.77%
    Delicate 23.05%
    Bay oil 22.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.7

    pKa est.
    8.51 (weak base)

    Molecular weight
    579.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    646°C

    Flash point

    • 238.49 ˚C est.

  • Synonyms

    • ICOSAN-9-YL 12-HYDROXYOCTADEC-9-ENOATE
    • icosan-9-yl (12R)-12-hydroxyoctadec-9-enoate
    • 125093-27-8
    • DTXSID90925016
    • 125093-27-8

  • Applications

    Icosan-9-YL 12-hydroxyoctadec-9-enoate (CAS 125093-27-8) is a long-chain fatty ester that is commonly considered for cosmetics and personal care as an emollient and texture modifier, and it can also function as an emulsifier or conditioning agent in formulations; in polymers and coatings it can serve as a plasticizer or softener to improve flexibility and processability of plastics and films; it may be used as an intermediate in the synthesis of specialty esters and functional derivatives; in industrial lubricants it can act as a lubricant component or additive to enhance flow and film formation; and in cleaning or household products it may contribute as a surfactant or solvent-like component in niche formulations, subject to formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.61
    methanol 11.18
    isopropanol 13.12
    water 0.06
    ethyl acetate 152.96
    n-propanol 20.37
    acetone 77.23
    n-butanol 26.5
    acetonitrile 20.96
    DMF 106.9
    toluene 86.12
    isobutanol 22.62
    1,4-dioxane 142.33
    methyl acetate 82.98
    THF 415.15
    2-butanone 128.58
    n-pentanol 26.48
    sec-butanol 29.87
    n-hexane 27.26
    ethylene glycol 1.17
    NMP 539.16
    cyclohexane 106.63
    DMSO 138.7
    n-butyl acetate 167.65
    n-octanol 57.33
    chloroform 435.44
    n-propyl acetate 156.89
    acetic acid 44.28
    dichloromethane 445.36
    cyclohexanone 452.69
    propylene glycol 4.17
    isopropyl acetate 152.01
    DMAc 364.7
    2-ethoxyethanol 51.77
    isopentanol 35.99
    n-heptane 28.72
    ethyl formate 56.44
    1,2-dichloroethane 272.13
    n-hexanol 28.14
    2-methoxyethanol 45.14
    isobutyl acetate 111.38
    tetrachloromethane 120.66
    n-pentyl acetate 331.42
    transcutol 386.08
    n-heptanol 47.79
    ethylbenzene 70.38
    MIBK 136.23
    2-propoxyethanol 66.92
    tert-butanol 28.71
    MTBE 99.66
    2-butoxyethanol 114.62
    propionic acid 45.35
    o-xylene 86.97
    formic acid 8.82
    diethyl ether 76.83
    m-xylene 68.43
    p-xylene 93.96
    chlorobenzene 147.89
    dimethyl carbonate 52.74
    n-octane 16.86
    formamide 16.6
    cyclopentanone 420.04
    2-pentanone 149.22
    anisole 110.47
    cyclopentyl methyl ether 278.84
    gamma-butyrolactone 381.41
    1-methoxy-2-propanol 58.42
    pyridine 184.49
    3-pentanone 155.65
    furfural 236.68
    n-dodecane 8.42
    diethylene glycol 19.9
    diisopropyl ether 55.14
    tert-amyl alcohol 58.08
    acetylacetone 212.01
    n-hexadecane 10.42
    acetophenone 157.2
    methyl propionate 119.58
    isopentyl acetate 185.02
    trichloroethylene 498.82
    n-nonanol 63.83
    cyclohexanol 93.89
    benzyl alcohol 50.18
    2-ethylhexanol 49.12
    isooctanol 57.71
    dipropyl ether 124.94
    1,2-dichlorobenzene 198.65
    ethyl lactate 58.54
    propylene carbonate 245.5
    n-methylformamide 35.59
    2-pentanol 30.04
    n-pentane 16.04
    1-propoxy-2-propanol 90.66
    1-methoxy-2-propyl acetate 185.52
    2-(2-methoxypropoxy) propanol 126.6
    mesitylene 55.79
    ε-caprolactone 437.11
    p-cymene 61.8
    epichlorohydrin 368.66
    1,1,1-trichloroethane 360.29
    2-aminoethanol 5.53
    morpholine-4-carbaldehyde 253.7
    sulfolane 676.09
    2,2,4-trimethylpentane 24.37
    2-methyltetrahydrofuran 349.99
    n-hexyl acetate 299.25
    isooctane 10.2
    2-(2-butoxyethoxy)ethanol 149.26
    sec-butyl acetate 151.19
    tert-butyl acetate 228.49
    decalin 47.71
    glycerin 8.59
    diglyme 369.49
    acrylic acid 32.29
    isopropyl myristate 96.57
    n-butyric acid 110.87
    acetyl acetate 118.5
    di(2-ethylhexyl) phthalate 76.12
    ethyl propionate 157.62
    nitromethane 105.53
    1,2-diethoxyethane 217.9
    benzonitrile 71.4
    trioctyl phosphate 56.48
    1-bromopropane 164.46
    gamma-valerolactone 483.1
    n-decanol 37.82
    triethyl phosphate 128.55
    4-methyl-2-pentanol 27.99
    propionitrile 32.7
    vinylene carbonate 172.24
    1,1,2-trichlorotrifluoroethane 227.79
    DMS 136.46
    cumene 53.03
    2-octanol 51.16
    2-hexanone 145.3
    octyl acetate 115.46
    limonene 116.05
    1,2-dimethoxyethane 154.78
    ethyl orthosilicate 132.79
    tributyl phosphate 77.15
    diacetone alcohol 145.15
    N,N-dimethylaniline 101.02
    acrylonitrile 31.67
    aniline 61.35
    1,3-propanediol 13.44
    bromobenzene 197.24
    dibromomethane 278.95
    1,1,2,2-tetrachloroethane 507.73
    2-methyl-cyclohexyl acetate 194.81
    tetrabutyl urea 124.91
    diisobutyl methanol 43.62
    2-phenylethanol 50.36
    styrene 74.27
    dioctyl adipate 161.13
    dimethyl sulfate 138.14
    ethyl butyrate 198.71
    methyl lactate 50.2
    butyl lactate 172.81
    diethyl carbonate 110.49
    propanediol butyl ether 78.68
    triethyl orthoformate 187.29
    p-tert-butyltoluene 57.83
    methyl 4-tert-butylbenzoate 229.58
    morpholine 173.39
    tert-butylamine 23.63
    n-dodecanol 25.26
    dimethoxymethane 90.31
    ethylene carbonate 162.12
    cyrene 143.02
    2-ethoxyethyl acetate 316.48
    2-ethylhexyl acetate 183.72
    1,2,4-trichlorobenzene 254.99
    4-methylpyridine 180.66
    dibutyl ether 169.61
    2,6-dimethyl-4-heptanol 43.62
    DEF 208.35
    dimethyl isosorbide 331.67
    tetrachloroethylene 313.85
    eugenol 140.06
    triacetin 310.04
    span 80 130.0
    1,4-butanediol 6.97
    1,1-dichloroethane 217.05
    2-methyl-1-pentanol 42.54
    methyl formate 31.33
    2-methyl-1-butanol 39.58
    n-decane 21.81
    butyronitrile 42.11
    3,7-dimethyl-1-octanol 63.97
    1-chlorooctane 89.93
    1-chlorotetradecane 25.82
    n-nonane 20.67
    undecane 12.47
    tert-butylcyclohexane 31.58
    cyclooctane 37.35
    cyclopentanol 78.12
    tetrahydropyran 260.61
    tert-amyl methyl ether 137.84
    2,5,8-trioxanonane 202.36
    1-hexene 51.72
    2-isopropoxyethanol 53.02
    2,2,2-trifluoroethanol 27.94
    methyl butyrate 202.81

    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