Neopentyl glycol dioleate

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  • Identifiers

    CAS number
    42222-50-4

    Molecular formula
    C41H76O4

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.75%
    Waxy 63.84%
    Oily 58.99%
    Odorless 27.94%
    Sweet 26.36%
    Creamy 23.74%
    Fruity 21.74%
    Dairy 20.1%
    Buttery 19.79%
    Balsamic 19.5%

     

    Flavor
    Waxy 41.14%
    Oily 32.9%
    Faint 31.0%
    Fatty 30.92%
    Mild 30.76%
    Bland 26.72%
    Slightly waxy 22.8%
    Delicate 21.52%
    Beer 20.96%
    Bay oil 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.1

    pKa est.
    9.45 (weak base)

    Molecular weight
    633.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    598°C

    Flash point

    • 265.81 ˚C est.

  • Synonyms

    • Neopentyl glycol dioleate
    • 42222-50-4
    • 2,2-Dimethyl-1,3-propanediyl dioleate
    • UNII-1I6UA18EM2
    • 1I6UA18EM2
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
    • EINECS 255-713-1
    • NSC 65468
    • DTXSID2028014
    • 9-Octadecenoic acid (Z)-, 2,2-dimethyl-1,3-propanediyl ester
    • EC 255-713-1
    • NSC-65468
    • 9-Octadecenoic acid (9Z)-, 2,2-dimethyl-1,3-propanediyl ester
    • RefChem:165339
    • DTXCID708014
    • SCHEMBL9518441
    • AMZKGJLFYCZDMJ-WRBBJXAJSA-N
    • DB-211377
    • NS00003062
    • Q27252453
    • 2,2-Dimethylpropane-1,3-diyl di[(9Z)-octadec-9-enoate]
    • [2,2-dimethyl-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
    • 1,1 inverted exclamation marka-(2,2-Dimethyl-1,3-propanediyl) di-(9Z)-9-octadecenoate
    • 42222-50-4

  • Applications

    Neopentyl glycol dioleate (CAS 42222-50-4) is the diester of neopentyl glycol and oleic acid, primarily used as an emollient and conditioning agent in cosmetics and personal care products, providing a smooth, soft skin feel in creams, lotions, and conditioning oils. It is also used as a plasticizer and processing aid in polymers and coatings, helping improve flexibility and handling of materials. In coatings and inks, it can serve as a plasticizer and flow modifier to enhance leveling and texture. In household and cleaning products, it may be added as an emollient and slip additive to improve texture and glide during use. In industrial manufacturing, it may be used as a lubricant additive or process-aid to improve processability and material workability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.37
    methanol 13.55
    isopropanol 18.55
    water 0.12
    ethyl acetate 201.71
    n-propanol 28.06
    acetone 121.76
    n-butanol 32.9
    acetonitrile 36.49
    DMF 147.49
    toluene 112.72
    isobutanol 30.0
    1,4-dioxane 144.22
    methyl acetate 116.32
    THF 398.31
    2-butanone 165.49
    n-pentanol 39.58
    sec-butanol 43.18
    n-hexane 31.81
    ethylene glycol 1.53
    NMP 529.81
    cyclohexane 76.8
    DMSO 138.15
    n-butyl acetate 177.27
    n-octanol 71.18
    chloroform 571.81
    n-propyl acetate 208.92
    acetic acid 66.24
    dichloromethane 538.89
    cyclohexanone 468.8
    propylene glycol 5.55
    isopropyl acetate 198.64
    DMAc 460.14
    2-ethoxyethanol 69.48
    isopentanol 43.94
    n-heptane 25.31
    ethyl formate 74.95
    1,2-dichloroethane 314.05
    n-hexanol 35.31
    2-methoxyethanol 52.02
    isobutyl acetate 152.34
    tetrachloromethane 132.08
    n-pentyl acetate 339.6
    transcutol 382.8
    n-heptanol 57.33
    ethylbenzene 90.63
    MIBK 166.64
    2-propoxyethanol 80.99
    tert-butanol 37.28
    MTBE 119.14
    2-butoxyethanol 137.9
    propionic acid 60.28
    o-xylene 104.85
    formic acid 12.73
    diethyl ether 94.31
    m-xylene 90.87
    p-xylene 122.45
    chlorobenzene 196.48
    dimethyl carbonate 76.2
    n-octane 18.13
    formamide 24.42
    cyclopentanone 444.43
    2-pentanone 187.53
    anisole 145.04
    cyclopentyl methyl ether 277.9
    gamma-butyrolactone 442.4
    1-methoxy-2-propanol 74.38
    pyridine 205.47
    3-pentanone 186.26
    furfural 272.09
    n-dodecane 9.81
    diethylene glycol 22.42
    diisopropyl ether 62.68
    tert-amyl alcohol 73.71
    acetylacetone 269.73
    n-hexadecane 11.76
    acetophenone 206.89
    methyl propionate 163.1
    isopentyl acetate 191.41
    trichloroethylene 625.26
    n-nonanol 75.25
    cyclohexanol 94.75
    benzyl alcohol 69.38
    2-ethylhexanol 55.28
    isooctanol 68.41
    dipropyl ether 124.31
    1,2-dichlorobenzene 252.34
    ethyl lactate 81.05
    propylene carbonate 284.25
    n-methylformamide 51.26
    2-pentanol 40.49
    n-pentane 18.28
    1-propoxy-2-propanol 105.29
    1-methoxy-2-propyl acetate 198.89
    2-(2-methoxypropoxy) propanol 141.18
    mesitylene 68.35
    ε-caprolactone 472.31
    p-cymene 67.75
    epichlorohydrin 426.83
    1,1,1-trichloroethane 440.87
    2-aminoethanol 7.01
    morpholine-4-carbaldehyde 277.61
    sulfolane 644.93
    2,2,4-trimethylpentane 26.1
    2-methyltetrahydrofuran 338.71
    n-hexyl acetate 318.05
    isooctane 11.44
    2-(2-butoxyethoxy)ethanol 167.09
    sec-butyl acetate 195.44
    tert-butyl acetate 262.47
    decalin 44.67
    glycerin 9.76
    diglyme 382.82
    acrylic acid 44.63
    isopropyl myristate 102.62
    n-butyric acid 136.78
    acetyl acetate 157.26
    di(2-ethylhexyl) phthalate 88.07
    ethyl propionate 212.36
    nitromethane 155.71
    1,2-diethoxyethane 216.33
    benzonitrile 98.74
    trioctyl phosphate 64.83
    1-bromopropane 195.74
    gamma-valerolactone 522.62
    n-decanol 46.43
    triethyl phosphate 131.86
    4-methyl-2-pentanol 38.25
    propionitrile 49.92
    vinylene carbonate 220.21
    1,1,2-trichlorotrifluoroethane 241.66
    DMS 162.78
    cumene 66.59
    2-octanol 63.96
    2-hexanone 197.8
    octyl acetate 125.53
    limonene 108.03
    1,2-dimethoxyethane 179.24
    ethyl orthosilicate 133.82
    tributyl phosphate 83.83
    diacetone alcohol 171.4
    N,N-dimethylaniline 125.44
    acrylonitrile 50.72
    aniline 72.46
    1,3-propanediol 15.96
    bromobenzene 247.76
    dibromomethane 336.23
    1,1,2,2-tetrachloroethane 612.16
    2-methyl-cyclohexyl acetate 189.05
    tetrabutyl urea 127.69
    diisobutyl methanol 46.89
    2-phenylethanol 62.71
    styrene 94.96
    dioctyl adipate 164.52
    dimethyl sulfate 177.7
    ethyl butyrate 206.42
    methyl lactate 63.45
    butyl lactate 187.77
    diethyl carbonate 122.24
    propanediol butyl ether 98.21
    triethyl orthoformate 183.99
    p-tert-butyltoluene 64.44
    methyl 4-tert-butylbenzoate 261.9
    morpholine 172.53
    tert-butylamine 29.82
    n-dodecanol 31.12
    dimethoxymethane 119.76
    ethylene carbonate 198.05
    cyrene 160.22
    2-ethoxyethyl acetate 334.7
    2-ethylhexyl acetate 179.38
    1,2,4-trichlorobenzene 307.79
    4-methylpyridine 217.63
    dibutyl ether 165.99
    2,6-dimethyl-4-heptanol 46.89
    DEF 246.42
    dimethyl isosorbide 328.62
    tetrachloroethylene 349.82
    eugenol 165.28
    triacetin 337.98
    span 80 140.74
    1,4-butanediol 10.2
    1,1-dichloroethane 285.93
    2-methyl-1-pentanol 59.5
    methyl formate 47.18
    2-methyl-1-butanol 50.24
    n-decane 23.92
    butyronitrile 61.41
    3,7-dimethyl-1-octanol 74.51
    1-chlorooctane 97.35
    1-chlorotetradecane 30.03
    n-nonane 23.18
    undecane 14.29
    tert-butylcyclohexane 32.91
    cyclooctane 31.62
    cyclopentanol 83.63
    tetrahydropyran 251.35
    tert-amyl methyl ether 151.12
    2,5,8-trioxanonane 205.42
    1-hexene 68.02
    2-isopropoxyethanol 75.39
    2,2,2-trifluoroethanol 41.42
    methyl butyrate 268.54

    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