Octadecanoic acid, 12-(1-oxooctadecyloxy)-, tridecyl ester

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  • Identifiers

    CAS number
    125804-06-0

    Molecular formula
    C49H96O4

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.12%
    Fatty 63.39%
    Oily 55.56%
    Odorless 34.32%
    Creamy 23.64%
    Sweet 23.37%
    Fruity 20.91%
    Dairy 19.07%
    Milky 18.53%
    Balsamic 18.2%

     

    Flavor
    Waxy 54.51%
    Fatty 45.01%
    Mild 42.59%
    Oily 39.67%
    Bland 36.17%
    Faint 32.49%
    Fat 30.01%
    Slightly waxy 25.32%
    Soapy 25.29%
    Coconut 24.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.7

    pKa est.
    10.14 (weak base)

    Molecular weight
    749.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    614°C

    Flash point

    • 289.7 ˚C est.

  • Synonyms

    • DTXSID601021831
    • Octadecanoic acid, 12-(1-oxooctadecyloxy)-, tridecyl ester
    • 125804-06-0
    • 125804-06-0

  • Applications

    Octadecanoic acid, 12-(1-oxooctadecyloxy)-, tridecyl ester (CAS 125804-06-0) is a long-chain fatty ester commonly used as an emollient and conditioning agent in cosmetics and personal care products; its wax-like character also supports its use as a plasticizer and processing aid for polymers and wax formulations to improve flexibility and gloss. In coatings and printing inks, it serves as a lubricant and flow modifier to enhance surface finish and processability. In industrial lubricants and metalworking fluids, it functions as a lubricant additive and viscosity modifier. As a component in wax-based formulations for adhesives and sealants, it can contribute to flexibility and moisture resistance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.05
    methanol 15.9
    isopropanol 17.2
    water 0.28
    ethyl acetate 258.3
    n-propanol 28.55
    acetone 133.92
    n-butanol 31.88
    acetonitrile 52.05
    DMF 205.71
    toluene 138.88
    isobutanol 29.46
    1,4-dioxane 208.87
    methyl acetate 168.24
    THF 539.3
    2-butanone 214.77
    n-pentanol 32.48
    sec-butanol 39.25
    n-hexane 28.62
    ethylene glycol 2.45
    NMP 1029.09
    cyclohexane 109.86
    DMSO 214.74
    n-butyl acetate 228.11
    n-octanol 59.43
    chloroform 828.2
    n-propyl acetate 247.32
    acetic acid 90.77
    dichloromethane 893.72
    cyclohexanone 710.12
    propylene glycol 6.97
    isopropyl acetate 231.94
    DMAc 629.45
    2-ethoxyethanol 74.27
    isopentanol 38.34
    n-heptane 25.34
    ethyl formate 105.72
    1,2-dichloroethane 484.36
    n-hexanol 29.81
    2-methoxyethanol 65.96
    isobutyl acetate 157.13
    tetrachloromethane 218.76
    n-pentyl acetate 424.6
    transcutol 432.59
    n-heptanol 47.96
    ethylbenzene 95.06
    MIBK 172.11
    2-propoxyethanol 82.13
    tert-butanol 32.15
    MTBE 108.77
    2-butoxyethanol 136.89
    propionic acid 84.87
    o-xylene 129.15
    formic acid 20.96
    diethyl ether 96.68
    m-xylene 104.51
    p-xylene 140.45
    chlorobenzene 286.89
    dimethyl carbonate 111.88
    n-octane 15.79
    formamide 42.67
    cyclopentanone 723.3
    2-pentanone 207.36
    anisole 162.63
    cyclopentyl methyl ether 365.63
    gamma-butyrolactone 754.79
    1-methoxy-2-propanol 75.85
    pyridine 338.13
    3-pentanone 235.2
    furfural 507.37
    n-dodecane 8.04
    diethylene glycol 27.83
    diisopropyl ether 61.88
    tert-amyl alcohol 68.68
    acetylacetone 368.93
    n-hexadecane 9.91
    acetophenone 268.81
    methyl propionate 211.5
    isopentyl acetate 234.01
    trichloroethylene 999.0
    n-nonanol 65.85
    cyclohexanol 115.53
    benzyl alcohol 79.47
    2-ethylhexanol 48.86
    isooctanol 56.86
    dipropyl ether 126.95
    1,2-dichlorobenzene 396.81
    ethyl lactate 93.31
    propylene carbonate 459.59
    n-methylformamide 80.16
    2-pentanol 34.68
    n-pentane 17.25
    1-propoxy-2-propanol 101.34
    1-methoxy-2-propyl acetate 256.05
    2-(2-methoxypropoxy) propanol 148.49
    mesitylene 79.25
    ε-caprolactone 725.44
    p-cymene 74.08
    epichlorohydrin 672.15
    1,1,1-trichloroethane 662.67
    2-aminoethanol 9.42
    morpholine-4-carbaldehyde 445.68
    sulfolane 1239.13
    2,2,4-trimethylpentane 23.64
    2-methyltetrahydrofuran 476.37
    n-hexyl acetate 369.69
    isooctane 9.68
    2-(2-butoxyethoxy)ethanol 171.36
    sec-butyl acetate 217.29
    tert-butyl acetate 310.1
    decalin 48.42
    glycerin 14.66
    diglyme 465.8
    acrylic acid 69.18
    isopropyl myristate 110.61
    n-butyric acid 170.75
    acetyl acetate 231.51
    di(2-ethylhexyl) phthalate 102.14
    ethyl propionate 254.44
    nitromethane 251.65
    1,2-diethoxyethane 250.8
    benzonitrile 141.59
    trioctyl phosphate 70.95
    1-bromopropane 239.19
    gamma-valerolactone 865.17
    n-decanol 39.32
    triethyl phosphate 185.7
    4-methyl-2-pentanol 29.66
    propionitrile 64.86
    vinylene carbonate 369.64
    1,1,2-trichlorotrifluoroethane 420.68
    DMS 250.01
    cumene 66.69
    2-octanol 53.31
    2-hexanone 204.41
    octyl acetate 142.65
    limonene 129.52
    1,2-dimethoxyethane 219.98
    ethyl orthosilicate 172.67
    tributyl phosphate 104.01
    diacetone alcohol 187.17
    N,N-dimethylaniline 134.31
    acrylonitrile 73.96
    aniline 107.68
    1,3-propanediol 19.03
    bromobenzene 377.26
    dibromomethane 515.13
    1,1,2,2-tetrachloroethane 927.52
    2-methyl-cyclohexyl acetate 247.34
    tetrabutyl urea 155.95
    diisobutyl methanol 40.26
    2-phenylethanol 69.29
    styrene 110.62
    dioctyl adipate 205.15
    dimethyl sulfate 292.83
    ethyl butyrate 271.87
    methyl lactate 89.3
    butyl lactate 224.5
    diethyl carbonate 166.2
    propanediol butyl ether 91.53
    triethyl orthoformate 237.61
    p-tert-butyltoluene 66.13
    methyl 4-tert-butylbenzoate 327.59
    morpholine 245.72
    tert-butylamine 26.12
    n-dodecanol 26.01
    dimethoxymethane 140.21
    ethylene carbonate 327.15
    cyrene 198.16
    2-ethoxyethyl acetate 461.81
    2-ethylhexyl acetate 228.54
    1,2,4-trichlorobenzene 512.86
    4-methylpyridine 327.2
    dibutyl ether 167.62
    2,6-dimethyl-4-heptanol 40.26
    DEF 332.08
    dimethyl isosorbide 415.57
    tetrachloroethylene 568.33
    eugenol 197.35
    triacetin 473.59
    span 80 146.38
    1,4-butanediol 11.2
    1,1-dichloroethane 378.97
    2-methyl-1-pentanol 47.5
    methyl formate 74.47
    2-methyl-1-butanol 47.35
    n-decane 20.01
    butyronitrile 68.36
    3,7-dimethyl-1-octanol 64.39
    1-chlorooctane 96.02
    1-chlorotetradecane 27.47
    n-nonane 19.09
    undecane 11.72
    tert-butylcyclohexane 31.24
    cyclooctane 39.37
    cyclopentanol 112.88
    tetrahydropyran 335.19
    tert-amyl methyl ether 150.24
    2,5,8-trioxanonane 246.14
    1-hexene 60.62
    2-isopropoxyethanol 69.95
    2,2,2-trifluoroethanol 73.04
    methyl butyrate 324.77

    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