Isostearyl Neopentanoate

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  • Identifiers

    CAS number
    58958-60-4

    Molecular formula
    C23H46O2

    SMILES
    CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.18%
    Fatty 52.88%
    Oily 49.19%
    Woody 29.87%
    Fruity 27.37%
    Odorless 27.06%
    Balsamic 25.34%
    Fresh 24.69%
    Sweet 24.68%
    Clean 24.09%

     

    Flavor
    Waxy 50.61%
    Oily 42.28%
    Mild 38.22%
    Bland 27.32%
    Delicate 24.67%
    Soapy 24.62%
    Floral 24.17%
    Balsam 23.95%
    Beer 23.64%
    Slightly waxy 23.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    8.18 (weak base)

    Molecular weight
    354.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 170.6 ˚C est.

  • Synonyms

    • ISOSTEARYL NEOPENTANOATE
    • Isooctadecyl pivalate
    • Cyclochem INEO
    • Isostearyl pivalate
    • 58958-60-4
    • Ceraphyl 375
    • Schercemol 85
    • 2,2-Dimethylpropanoic acid, isooctadecyl ester
    • EINECS 261-521-9
    • 2,2-Dimethylpropanoic acid isooctadecyl ester
    • CRODAMOL ISNP
    • Propanoic acid, 2,2-dimethyl-, isooctadecyl ester
    • JEECHEM ISNP
    • 411THY156Q
    • SCHERCEMOL 185
    • BERNEL ESTER 185
    • DERMOL 185
    • DUB VCI 18
    • SCHERCEMOL 185 ESTER
    • ISOSTEARYL TRIMETHYLACETATE
    • AEC ISOSTEARYL NEOPENTANOATE
    • RefChem:792357
    • DTXSID5052252
    • ISOSTEARYL NEOPENTANOATE [INCI]
    • 16-Methylheptadecyl pivalate
    • 85006-19-5
    • 16-methylheptadecyl 2,2-dimethylpropanoate
    • UNII-411THY156Q
    • EINECS 285-048-2
    • SCHEMBL3323623
    • DTXSID10892317
    • JSOVGYMVTPPEND-UHFFFAOYSA-N
    • NS00013801
    • Q27258370
    • 58958-60-4

  • Applications

    Isostearyl neopentanoate is a long-chain ester that is widely used in cosmetics and personal care as a lightweight emollient and solvent. In perfumery and fragrance, it serves as a carrier for fragrance oils and helps solubilize active ingredients, aiding formulation stability. In skincare and makeup products, it provides slip, conditioning, and a soft, non-greasy skin feel in lotions, creams, and color cosmetics. In hair care formulations, it acts as a conditioning agent and texture enhancer, improving glide and product feel. It is also used as a formulation intermediate or vehicle in certain emulsions and can serve as a carrier for actives or fragrance components. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 764.05
    methanol 519.75
    isopropanol 1027.28
    water 0.45
    ethyl acetate 5042.78
    n-propanol 1026.55
    acetone 2489.16
    n-butanol 1360.51
    acetonitrile 1064.31
    DMF 2493.45
    toluene 1743.87
    isobutanol 1180.52
    1,4-dioxane 3128.7
    methyl acetate 2480.45
    THF 5434.06
    2-butanone 3301.81
    n-pentanol 932.75
    sec-butanol 1485.21
    n-hexane 760.82
    ethylene glycol 29.72
    NMP 3146.98
    cyclohexane 2286.49
    DMSO 1270.05
    n-butyl acetate 4679.94
    n-octanol 1304.25
    chloroform 7440.57
    n-propyl acetate 4660.82
    acetic acid 860.38
    dichloromethane 7160.48
    cyclohexanone 7035.34
    propylene glycol 108.34
    isopropyl acetate 4709.55
    DMAc 3990.25
    2-ethoxyethanol 1464.18
    isopentanol 1820.89
    n-heptane 704.04
    ethyl formate 1755.83
    1,2-dichloroethane 4840.63
    n-hexanol 1002.35
    2-methoxyethanol 1373.86
    isobutyl acetate 3383.71
    tetrachloromethane 2231.81
    n-pentyl acetate 5601.12
    transcutol 5382.29
    n-heptanol 1260.4
    ethylbenzene 1310.95
    MIBK 3622.0
    2-propoxyethanol 1535.46
    tert-butanol 1789.91
    MTBE 4100.39
    2-butoxyethanol 2175.39
    propionic acid 1065.09
    o-xylene 1484.73
    formic acid 126.95
    diethyl ether 3212.95
    m-xylene 1378.66
    p-xylene 2066.8
    chlorobenzene 2441.56
    dimethyl carbonate 746.94
    n-octane 393.83
    formamide 311.84
    cyclopentanone 4982.67
    2-pentanone 3959.83
    anisole 2055.62
    cyclopentyl methyl ether 4384.93
    gamma-butyrolactone 4595.77
    1-methoxy-2-propanol 1724.2
    pyridine 2838.29
    3-pentanone 3018.96
    furfural 2704.94
    n-dodecane 161.47
    diethylene glycol 413.53
    diisopropyl ether 1835.71
    tert-amyl alcohol 2224.61
    acetylacetone 3910.05
    n-hexadecane 202.41
    acetophenone 2308.89
    methyl propionate 2658.09
    isopentyl acetate 4999.83
    trichloroethylene 7591.85
    n-nonanol 1232.92
    cyclohexanol 2504.12
    benzyl alcohol 991.75
    2-ethylhexanol 1359.32
    isooctanol 1482.85
    dipropyl ether 2795.77
    1,2-dichlorobenzene 2790.08
    ethyl lactate 947.99
    propylene carbonate 3238.99
    n-methylformamide 955.13
    2-pentanol 1469.53
    n-pentane 543.9
    1-propoxy-2-propanol 2052.8
    1-methoxy-2-propyl acetate 3290.25
    2-(2-methoxypropoxy) propanol 1325.92
    mesitylene 1121.64
    ε-caprolactone 6239.36
    p-cymene 1108.46
    epichlorohydrin 5013.76
    1,1,1-trichloroethane 6968.47
    2-aminoethanol 167.36
    morpholine-4-carbaldehyde 3154.26
    sulfolane 4348.13
    2,2,4-trimethylpentane 528.79
    2-methyltetrahydrofuran 5494.1
    n-hexyl acetate 4774.61
    isooctane 350.02
    2-(2-butoxyethoxy)ethanol 2027.55
    sec-butyl acetate 4239.17
    tert-butyl acetate 5228.31
    decalin 818.51
    glycerin 144.69
    diglyme 5691.42
    acrylic acid 556.76
    isopropyl myristate 1607.12
    n-butyric acid 3206.64
    acetyl acetate 2741.3
    di(2-ethylhexyl) phthalate 824.37
    ethyl propionate 3997.07
    nitromethane 2246.8
    1,2-diethoxyethane 4169.68
    benzonitrile 1737.99
    trioctyl phosphate 779.58
    1-bromopropane 3634.07
    gamma-valerolactone 6077.1
    n-decanol 753.17
    triethyl phosphate 1457.97
    4-methyl-2-pentanol 1174.69
    propionitrile 1535.54
    vinylene carbonate 2567.25
    1,1,2-trichlorotrifluoroethane 2434.86
    DMS 1990.78
    cumene 993.92
    2-octanol 1365.81
    2-hexanone 3333.48
    octyl acetate 1774.64
    limonene 1977.72
    1,2-dimethoxyethane 4242.74
    ethyl orthosilicate 1623.46
    tributyl phosphate 1061.61
    diacetone alcohol 2905.57
    N,N-dimethylaniline 1430.45
    acrylonitrile 1221.88
    aniline 1246.07
    1,3-propanediol 496.54
    bromobenzene 3071.8
    dibromomethane 4783.39
    1,1,2,2-tetrachloroethane 7162.26
    2-methyl-cyclohexyl acetate 2694.91
    tetrabutyl urea 1397.62
    diisobutyl methanol 1135.05
    2-phenylethanol 1031.48
    styrene 1409.81
    dioctyl adipate 1853.38
    dimethyl sulfate 1217.78
    ethyl butyrate 4456.26
    methyl lactate 678.53
    butyl lactate 2313.59
    diethyl carbonate 2224.63
    propanediol butyl ether 1249.52
    triethyl orthoformate 3030.66
    p-tert-butyltoluene 1031.52
    methyl 4-tert-butylbenzoate 2374.58
    morpholine 3933.21
    tert-butylamine 1437.28
    n-dodecanol 522.53
    dimethoxymethane 2149.03
    ethylene carbonate 2858.7
    cyrene 1065.63
    2-ethoxyethyl acetate 4290.77
    2-ethylhexyl acetate 4246.89
    1,2,4-trichlorobenzene 2891.17
    4-methylpyridine 3620.61
    dibutyl ether 3670.7
    2,6-dimethyl-4-heptanol 1135.05
    DEF 4544.14
    dimethyl isosorbide 2782.71
    tetrachloroethylene 4530.58
    eugenol 1564.36
    triacetin 3157.44
    span 80 1448.39
    1,4-butanediol 228.23
    1,1-dichloroethane 5334.48
    2-methyl-1-pentanol 1338.17
    methyl formate 725.13
    2-methyl-1-butanol 1621.89
    n-decane 432.57
    butyronitrile 2391.14
    3,7-dimethyl-1-octanol 1535.73
    1-chlorooctane 1711.33
    1-chlorotetradecane 469.09
    n-nonane 468.16
    undecane 238.33
    tert-butylcyclohexane 676.83
    cyclooctane 712.58
    cyclopentanol 1811.19
    tetrahydropyran 5586.35
    tert-amyl methyl ether 3414.12
    2,5,8-trioxanonane 2287.93
    1-hexene 1569.75
    2-isopropoxyethanol 1518.28
    2,2,2-trifluoroethanol 405.92
    methyl butyrate 5401.26

    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