Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester

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  • Identifiers

    CAS number
    15196-51-7

    Molecular formula
    C41H80O4

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.9%
    Fatty 65.15%
    Oily 50.92%
    Odorless 35.4%
    Creamy 25.47%
    Sweet 21.43%
    Dairy 18.65%
    Milky 18.21%
    Balsamic 17.13%
    Buttery 16.73%

     

    Flavor
    Waxy 59.37%
    Oily 46.74%
    Mild 44.45%
    Fatty 43.52%
    Bland 34.01%
    Faint 30.48%
    Fat 29.59%
    Soapy 29.11%
    Coconut 28.0%
    Creamy 25.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.0

    pKa est.
    9.93 (weak base)

    Molecular weight
    637.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    576°C

    Flash point

    • 270.58 ˚C est.

  • Synonyms

    • Octadecanoic acid, 2,2-dimethyl-1,3-propanediyl ester
    • Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
    • RefChem:855548
    • 15196-51-7
    • (2,2-dimethyl-3-octadecanoyloxypropyl) octadecanoate
    • Dioctadecanoic acid 2,2-dimethyl-1,3-propanediyl ester
    • 2,2-dimethylpropane-1,3-diyl dioctadecanoate
    • WZZRCFLIGSUOOC-UHFFFAOYSA-N
    • DTXSID4065866
    • SCHEMBL17812465
    • 15196-51-7

  • Applications

    Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 15196-51-7) is commonly used as an emollient and conditioning agent in cosmetics and personal care products, providing slip and a soft, smooth feel on the skin. It also serves as a non-volatile lubricant and plasticizer in polymer formulations, helping to improve flexibility in waxes, polyurethanes, and PVC compounds. In coatings and inks, it can act as a fatty-ester oil component to adjust rheology, flow, and gloss. Additionally, it may be employed as an intermediate or solvent in chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.27
    methanol 19.02
    isopropanol 20.68
    water 0.4
    ethyl acetate 233.23
    n-propanol 30.98
    acetone 147.01
    n-butanol 32.73
    acetonitrile 50.65
    DMF 200.38
    toluene 105.2
    isobutanol 32.78
    1,4-dioxane 169.66
    methyl acetate 145.52
    THF 452.16
    2-butanone 197.08
    n-pentanol 38.7
    sec-butanol 44.6
    n-hexane 23.76
    ethylene glycol 2.77
    NMP 687.53
    cyclohexane 75.28
    DMSO 189.71
    n-butyl acetate 206.65
    n-octanol 74.21
    chloroform 678.62
    n-propyl acetate 243.03
    acetic acid 90.2
    dichloromethane 645.3
    cyclohexanone 564.39
    propylene glycol 8.29
    isopropyl acetate 230.5
    DMAc 563.24
    2-ethoxyethanol 84.44
    isopentanol 43.2
    n-heptane 21.66
    ethyl formate 100.99
    1,2-dichloroethane 362.69
    n-hexanol 34.23
    2-methoxyethanol 68.94
    isobutyl acetate 175.34
    tetrachloromethane 160.81
    n-pentyl acetate 422.68
    transcutol 440.34
    n-heptanol 59.92
    ethylbenzene 80.27
    MIBK 176.02
    2-propoxyethanol 89.62
    tert-butanol 40.98
    MTBE 113.24
    2-butoxyethanol 158.3
    propionic acid 85.79
    o-xylene 102.13
    formic acid 22.08
    diethyl ether 88.81
    m-xylene 84.81
    p-xylene 124.36
    chlorobenzene 223.35
    dimethyl carbonate 99.73
    n-octane 15.92
    formamide 41.87
    cyclopentanone 569.95
    2-pentanone 198.37
    anisole 144.55
    cyclopentyl methyl ether 287.89
    gamma-butyrolactone 612.63
    1-methoxy-2-propanol 86.51
    pyridine 248.51
    3-pentanone 206.42
    furfural 398.37
    n-dodecane 8.43
    diethylene glycol 29.63
    diisopropyl ether 59.24
    tert-amyl alcohol 74.34
    acetylacetone 331.16
    n-hexadecane 10.1
    acetophenone 237.47
    methyl propionate 188.2
    isopentyl acetate 220.43
    trichloroethylene 754.27
    n-nonanol 78.15
    cyclohexanol 104.0
    benzyl alcohol 76.04
    2-ethylhexanol 52.23
    isooctanol 71.35
    dipropyl ether 119.6
    1,2-dichlorobenzene 299.12
    ethyl lactate 104.39
    propylene carbonate 403.07
    n-methylformamide 77.51
    2-pentanol 37.78
    n-pentane 14.31
    1-propoxy-2-propanol 113.94
    1-methoxy-2-propyl acetate 237.06
    2-(2-methoxypropoxy) propanol 151.97
    mesitylene 67.43
    ε-caprolactone 581.18
    p-cymene 68.93
    epichlorohydrin 526.79
    1,1,1-trichloroethane 524.38
    2-aminoethanol 10.76
    morpholine-4-carbaldehyde 376.98
    sulfolane 912.18
    2,2,4-trimethylpentane 20.71
    2-methyltetrahydrofuran 362.14
    n-hexyl acetate 367.94
    isooctane 9.34
    2-(2-butoxyethoxy)ethanol 186.26
    sec-butyl acetate 221.02
    tert-butyl acetate 309.74
    decalin 37.9
    glycerin 16.22
    diglyme 473.75
    acrylic acid 67.01
    isopropyl myristate 111.58
    n-butyric acid 172.98
    acetyl acetate 200.12
    di(2-ethylhexyl) phthalate 100.05
    ethyl propionate 242.21
    nitromethane 231.11
    1,2-diethoxyethane 236.77
    benzonitrile 125.35
    trioctyl phosphate 74.96
    1-bromopropane 193.98
    gamma-valerolactone 722.08
    n-decanol 46.71
    triethyl phosphate 156.59
    4-methyl-2-pentanol 36.62
    propionitrile 61.15
    vinylene carbonate 325.66
    1,1,2-trichlorotrifluoroethane 336.01
    DMS 200.79
    cumene 61.75
    2-octanol 69.84
    2-hexanone 212.28
    octyl acetate 139.23
    limonene 109.19
    1,2-dimethoxyethane 216.86
    ethyl orthosilicate 148.57
    tributyl phosphate 100.59
    diacetone alcohol 207.98
    N,N-dimethylaniline 117.93
    acrylonitrile 67.29
    aniline 79.79
    1,3-propanediol 21.58
    bromobenzene 276.44
    dibromomethane 387.31
    1,1,2,2-tetrachloroethane 700.42
    2-methyl-cyclohexyl acetate 215.1
    tetrabutyl urea 147.43
    diisobutyl methanol 44.06
    2-phenylethanol 67.16
    styrene 87.72
    dioctyl adipate 192.26
    dimethyl sulfate 244.82
    ethyl butyrate 237.74
    methyl lactate 87.41
    butyl lactate 244.41
    diethyl carbonate 145.68
    propanediol butyl ether 117.34
    triethyl orthoformate 211.57
    p-tert-butyltoluene 64.84
    methyl 4-tert-butylbenzoate 317.16
    morpholine 207.19
    tert-butylamine 30.92
    n-dodecanol 30.65
    dimethoxymethane 142.54
    ethylene carbonate 286.64
    cyrene 192.38
    2-ethoxyethyl acetate 416.42
    2-ethylhexyl acetate 204.4
    1,2,4-trichlorobenzene 374.92
    4-methylpyridine 255.17
    dibutyl ether 170.7
    2,6-dimethyl-4-heptanol 44.06
    DEF 281.81
    dimethyl isosorbide 380.41
    tetrachloroethylene 435.06
    eugenol 196.86
    triacetin 427.56
    span 80 153.17
    1,4-butanediol 13.88
    1,1-dichloroethane 325.96
    2-methyl-1-pentanol 55.28
    methyl formate 74.42
    2-methyl-1-butanol 49.57
    n-decane 21.62
    butyronitrile 71.62
    3,7-dimethyl-1-octanol 74.66
    1-chlorooctane 98.75
    1-chlorotetradecane 28.13
    n-nonane 20.94
    undecane 12.46
    tert-butylcyclohexane 27.44
    cyclooctane 26.83
    cyclopentanol 99.41
    tetrahydropyran 269.32
    tert-amyl methyl ether 140.55
    2,5,8-trioxanonane 237.29
    1-hexene 53.98
    2-isopropoxyethanol 82.53
    2,2,2-trifluoroethanol 70.49
    methyl butyrate 312.58

    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