Neopentyl Glycol Dicaprate

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  • Identifiers

    CAS number
    27841-06-1

    Molecular formula
    C25H48O4

    SMILES
    CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 63.68%
    Fatty 63.1%
    Waxy 54.55%
    Fruity 45.89%
    Winey 42.5%
    Cognac 34.63%
    Creamy 32.55%
    Fermented 31.47%
    Floral 28.64%
    Odorless 28.35%

     

    Flavor
    Waxy 61.76%
    Fruity 55.78%
    Oily 52.17%
    Sweet 43.14%
    Soapy 39.24%
    Fatty 36.01%
    Green 35.51%
    Mild 35.41%
    Floral 34.72%
    Wine 33.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.73 (neutral)

    Molecular weight
    412.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Flash point

    • 194.17 ˚C est.

  • Synonyms

    • Neopentyl glycol dicaprate
    • VISTANOL NPGC
    • DERMOL NGDC
    • ESTEMOL N-01
    • 77T908SE82
    • SCHERCEMOL NGDC ESTER
    • 2,2-Dimethyl-1,3-propanediyl didecanoate
    • Decanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
    • Decanoic acid, 2,2-dimethyl-1,3-propanediyl ester
    • 2,2-DIMETHYLPROPANE-1,3-DIOL DIDECANOATE
    • RefChem:832328
    • NEOPENTYL GLYCOL DICAPRATE [INCI]
    • 27841-06-1
    • Neopentyl glycol didecanoate
    • (3-decanoyloxy-2,2-dimethylpropyl) decanoate
    • Decanoic acid, 2,2-dimethyl-1,3-propanediol diester
    • UNII-77T908SE82
    • EINECS 248-688-3
    • SCHEMBL1730397
    • DTXSID70865401
    • BJDAUCLANVMIOB-UHFFFAOYSA-N
    • 2,2-Dimethylpropane-1,3-diyl didecanoate
    • NS00013883
    • 1,3-bis-(decanoyloxy)-2,2-dimethyl-propane
    • Q27266609
    • Decanoic acid,1,1'-(2,2-dimethyl-1,3-propanediyl)ester
    • 27841-06-1

  • Applications

    Neopentyl Glycol Dicaprate (CAS 27841-06-1) is a diester used primarily as an emollient and solvent in cosmetics and personal care, improving slip and skin feel in creams and lotions; it also serves as a non-phthalate plasticizer and processing aid for polymers, coatings, and adhesives to enhance flexibility and structural stability; in perfumery, it can act as a carrier and help dissolve or distribute fragrance ingredients; it is also used as an intermediate for the synthesis of specialty esters and as a formulation component in industrial cleaning and processing chemistries, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 107.32
    methanol 114.99
    isopropanol 123.71
    water 0.48
    ethyl acetate 697.65
    n-propanol 148.25
    acetone 572.1
    n-butanol 161.2
    acetonitrile 216.85
    DMF 634.22
    toluene 261.66
    isobutanol 163.51
    1,4-dioxane 468.29
    methyl acetate 461.06
    THF 1191.38
    2-butanone 611.41
    n-pentanol 152.04
    sec-butanol 203.54
    n-hexane 44.86
    ethylene glycol 10.5
    NMP 1272.05
    cyclohexane 157.63
    DMSO 597.4
    n-butyl acetate 553.43
    n-octanol 193.67
    chloroform 1633.37
    n-propyl acetate 686.02
    acetic acid 311.53
    dichloromethane 1616.96
    cyclohexanone 1461.02
    propylene glycol 33.94
    isopropyl acetate 652.44
    DMAc 1365.42
    2-ethoxyethanol 302.02
    isopentanol 216.66
    n-heptane 30.7
    ethyl formate 322.42
    1,2-dichloroethane 1033.3
    n-hexanol 122.84
    2-methoxyethanol 288.77
    isobutyl acetate 461.52
    tetrachloromethane 313.39
    n-pentyl acetate 917.01
    transcutol 1306.15
    n-heptanol 172.13
    ethylbenzene 183.93
    MIBK 560.7
    2-propoxyethanol 285.36
    tert-butanol 233.57
    MTBE 432.41
    2-butoxyethanol 453.89
    propionic acid 263.89
    o-xylene 246.0
    formic acid 70.39
    diethyl ether 296.99
    m-xylene 203.5
    p-xylene 290.61
    chlorobenzene 492.71
    dimethyl carbonate 198.63
    n-octane 24.62
    formamide 146.82
    cyclopentanone 1306.17
    2-pentanone 633.44
    anisole 340.48
    cyclopentyl methyl ether 671.75
    gamma-butyrolactone 1263.0
    1-methoxy-2-propanol 333.42
    pyridine 617.1
    3-pentanone 541.33
    furfural 873.61
    n-dodecane 14.67
    diethylene glycol 105.29
    diisopropyl ether 162.49
    tert-amyl alcohol 322.45
    acetylacetone 907.16
    n-hexadecane 17.8
    acetophenone 544.44
    methyl propionate 490.56
    isopentyl acetate 610.07
    trichloroethylene 1918.43
    n-nonanol 186.15
    cyclohexanol 376.75
    benzyl alcohol 227.14
    2-ethylhexanol 144.08
    isooctanol 188.87
    dipropyl ether 241.98
    1,2-dichlorobenzene 597.23
    ethyl lactate 245.68
    propylene carbonate 827.04
    n-methylformamide 257.41
    2-pentanol 163.41
    n-pentane 29.57
    1-propoxy-2-propanol 317.0
    1-methoxy-2-propyl acetate 534.96
    2-(2-methoxypropoxy) propanol 355.31
    mesitylene 149.8
    ε-caprolactone 1353.74
    p-cymene 131.91
    epichlorohydrin 1288.61
    1,1,1-trichloroethane 1273.49
    2-aminoethanol 44.89
    morpholine-4-carbaldehyde 889.95
    sulfolane 1636.13
    2,2,4-trimethylpentane 42.52
    2-methyltetrahydrofuran 901.94
    n-hexyl acetate 871.39
    isooctane 20.68
    2-(2-butoxyethoxy)ethanol 479.46
    sec-butyl acetate 564.44
    tert-butyl acetate 794.45
    decalin 70.91
    glycerin 56.21
    diglyme 1214.07
    acrylic acid 185.88
    isopropyl myristate 233.32
    n-butyric acid 572.05
    acetyl acetate 494.51
    di(2-ethylhexyl) phthalate 205.45
    ethyl propionate 590.3
    nitromethane 744.82
    1,2-diethoxyethane 595.45
    benzonitrile 361.95
    trioctyl phosphate 150.38
    1-bromopropane 546.09
    gamma-valerolactone 1634.74
    n-decanol 111.95
    triethyl phosphate 260.27
    4-methyl-2-pentanol 136.11
    propionitrile 226.4
    vinylene carbonate 663.16
    1,1,2-trichlorotrifluoroethane 774.59
    DMS 430.93
    cumene 135.99
    2-octanol 181.62
    2-hexanone 581.78
    octyl acetate 301.5
    limonene 225.38
    1,2-dimethoxyethane 730.17
    ethyl orthosilicate 260.6
    tributyl phosphate 210.14
    diacetone alcohol 603.22
    N,N-dimethylaniline 254.37
    acrylonitrile 241.32
    aniline 225.21
    1,3-propanediol 102.51
    bromobenzene 582.36
    dibromomethane 982.32
    1,1,2,2-tetrachloroethane 1694.8
    2-methyl-cyclohexyl acetate 416.43
    tetrabutyl urea 300.43
    diisobutyl methanol 110.08
    2-phenylethanol 190.75
    styrene 217.37
    dioctyl adipate 374.58
    dimethyl sulfate 423.89
    ethyl butyrate 504.98
    methyl lactate 207.16
    butyl lactate 516.33
    diethyl carbonate 299.53
    propanediol butyl ether 343.28
    triethyl orthoformate 372.19
    p-tert-butyltoluene 123.11
    methyl 4-tert-butylbenzoate 578.89
    morpholine 649.28
    tert-butylamine 149.6
    n-dodecanol 74.7
    dimethoxymethane 430.14
    ethylene carbonate 621.66
    cyrene 372.32
    2-ethoxyethyl acetate 888.95
    2-ethylhexyl acetate 511.52
    1,2,4-trichlorobenzene 709.93
    4-methylpyridine 729.57
    dibutyl ether 381.2
    2,6-dimethyl-4-heptanol 110.08
    DEF 809.01
    dimethyl isosorbide 701.65
    tetrachloroethylene 1063.87
    eugenol 412.71
    triacetin 809.33
    span 80 352.25
    1,4-butanediol 56.42
    1,1-dichloroethane 961.33
    2-methyl-1-pentanol 207.36
    methyl formate 208.61
    2-methyl-1-butanol 216.31
    n-decane 36.68
    butyronitrile 297.1
    3,7-dimethyl-1-octanol 194.56
    1-chlorooctane 209.72
    1-chlorotetradecane 55.5
    n-nonane 36.21
    undecane 21.36
    tert-butylcyclohexane 54.97
    cyclooctane 41.24
    cyclopentanol 339.27
    tetrahydropyran 733.38
    tert-amyl methyl ether 441.04
    2,5,8-trioxanonane 575.14
    1-hexene 142.93
    2-isopropoxyethanol 292.48
    2,2,2-trifluoroethanol 175.21
    methyl butyrate 849.38

    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