Diisopentyl succinate

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  • Identifiers

    CAS number
    818-04-2

    Molecular formula
    C14H26O4

    SMILES
    CC(C)CCOC(=O)CCC(=O)OCCC(C)C

  • Odor profile

    Fruity 83.27%
    Winey 62.88%
    Oily 51.19%
    Apple 45.61%
    Fatty 43.51%
    Fermented 38.35%
    Herbal 35.54%
    Sweet 31.14%
    Buttery 27.75%
    Waxy 27.25%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point est.
    129.29 ˚C

  • Synonyms

    • Diisopentyl succinate
    • 818-04-2
    • bis(3-methylbutyl) butanedioate
    • diisoamyl succinate
    • Butanedioic acid,1,4-bis(3-methylbutyl) ester
    • Butanedioic acid, bis(3-methylbutyl) ester
    • EINECS 212-448-6
    • 32GYA74XJK
    • AI3-01975
    • DTXSID80231370
    • UNII-32GYA74XJK
    • SCHEMBL333015
    • Succinic acid, diisopentyl ester
    • DTXCID80153861
    • MFCD00435684
    • AKOS025295788
    • Succinic acid, di(3-methylbutyl) ester
    • butanedioic acid bis-(3-methylbutyl) ester
    • 1,4-BIS(3-METHYLBUTYL) BUTANEDIOATE
    • NS00022813
    • Butanedioic acid, 1,4-bis(3-methylbutyl) ester
    • 212-448-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 220.12
    methanol 240.31
    isopropanol 192.92
    water 0.42
    ethyl acetate 488.13
    n-propanol 163.58
    acetone 572.74
    n-butanol 153.83
    acetonitrile 387.4
    DMF 741.49
    toluene 258.27
    isobutanol 140.08
    1,4-dioxane 503.07
    methyl acetate 503.86
    THF 1116.26
    2-butanone 492.68
    n-pentanol 150.19
    sec-butanol 192.8
    n-hexane 36.9
    ethylene glycol 20.92
    NMP 1249.85
    cyclohexane 65.43
    DMSO 805.34
    n-butyl acetate 389.53
    n-octanol 96.9
    chloroform 1970.56
    n-propyl acetate 411.24
    acetic acid 517.83
    dichloromethane 1882.42
    cyclohexanone 928.83
    propylene glycol 48.71
    isopropyl acetate 370.05
    DMAc 1089.37
    2-ethoxyethanol 303.46
    isopentanol 177.65
    n-heptane 15.39
    ethyl formate 277.64
    1,2-dichloroethane 1048.2
    n-hexanol 120.2
    2-methoxyethanol 363.87
    isobutyl acetate 273.31
    tetrachloromethane 218.47
    n-pentyl acetate 273.81
    transcutol 1162.91
    n-heptanol 76.33
    ethylbenzene 178.03
    MIBK 264.18
    2-propoxyethanol 286.83
    tert-butanol 301.1
    MTBE 316.9
    2-butoxyethanol 217.95
    propionic acid 281.39
    o-xylene 196.36
    formic acid 127.88
    diethyl ether 244.35
    m-xylene 174.4
    p-xylene 284.78
    chlorobenzene 472.11
    dimethyl carbonate 163.41
    n-octane 9.32
    formamide 272.01
    cyclopentanone 1068.94
    2-pentanone 381.03
    anisole 352.15
    cyclopentyl methyl ether 466.79
    gamma-butyrolactone 1251.27
    1-methoxy-2-propanol 298.41
    pyridine 638.06
    3-pentanone 327.01
    furfural 966.46
    n-dodecane 7.86
    diethylene glycol 166.44
    diisopropyl ether 96.48
    tert-amyl alcohol 280.13
    acetylacetone 614.75
    n-hexadecane 9.34
    acetophenone 470.14
    methyl propionate 357.18
    isopentyl acetate 387.22
    trichloroethylene 2137.74
    n-nonanol 94.17
    cyclohexanol 247.36
    benzyl alcohol 242.19
    2-ethylhexanol 109.38
    isooctanol 73.29
    dipropyl ether 140.71
    1,2-dichlorobenzene 512.51
    ethyl lactate 174.17
    propylene carbonate 699.64
    n-methylformamide 311.97
    2-pentanol 132.31
    n-pentane 20.28
    1-propoxy-2-propanol 237.49
    1-methoxy-2-propyl acetate 372.73
    2-(2-methoxypropoxy) propanol 316.06
    mesitylene 109.92
    ε-caprolactone 837.35
    p-cymene 92.06
    epichlorohydrin 1291.86
    1,1,1-trichloroethane 1044.66
    2-aminoethanol 76.23
    morpholine-4-carbaldehyde 883.04
    sulfolane 1479.87
    2,2,4-trimethylpentane 21.62
    2-methyltetrahydrofuran 762.55
    n-hexyl acetate 351.9
    isooctane 12.39
    2-(2-butoxyethoxy)ethanol 386.22
    sec-butyl acetate 323.0
    tert-butyl acetate 391.63
    decalin 48.64
    glycerin 76.13
    diglyme 736.87
    acrylic acid 241.73
    isopropyl myristate 124.28
    n-butyric acid 424.8
    acetyl acetate 449.85
    di(2-ethylhexyl) phthalate 138.0
    ethyl propionate 341.31
    nitromethane 1024.61
    1,2-diethoxyethane 372.06
    benzonitrile 356.43
    trioctyl phosphate 85.34
    1-bromopropane 470.27
    gamma-valerolactone 1231.6
    n-decanol 65.32
    triethyl phosphate 178.72
    4-methyl-2-pentanol 93.56
    propionitrile 243.93
    vinylene carbonate 558.04
    1,1,2-trichlorotrifluoroethane 822.63
    DMS 350.32
    cumene 122.36
    2-octanol 66.59
    2-hexanone 355.45
    octyl acetate 158.0
    limonene 132.85
    1,2-dimethoxyethane 632.04
    ethyl orthosilicate 167.81
    tributyl phosphate 137.42
    diacetone alcohol 373.82
    N,N-dimethylaniline 257.76
    acrylonitrile 315.76
    aniline 283.34
    1,3-propanediol 135.82
    bromobenzene 557.6
    dibromomethane 1165.71
    1,1,2,2-tetrachloroethane 1766.98
    2-methyl-cyclohexyl acetate 302.78
    tetrabutyl urea 164.36
    diisobutyl methanol 72.43
    2-phenylethanol 201.87
    styrene 229.08
    dioctyl adipate 234.04
    dimethyl sulfate 369.34
    ethyl butyrate 299.28
    methyl lactate 166.28
    butyl lactate 212.79
    diethyl carbonate 219.86
    propanediol butyl ether 208.43
    triethyl orthoformate 210.49
    p-tert-butyltoluene 84.8
    methyl 4-tert-butylbenzoate 301.22
    morpholine 662.54
    tert-butylamine 182.39
    n-dodecanol 47.64
    dimethoxymethane 338.49
    ethylene carbonate 456.82
    cyrene 331.12
    2-ethoxyethyl acetate 377.61
    2-ethylhexyl acetate 317.33
    1,2,4-trichlorobenzene 651.35
    4-methylpyridine 738.01
    dibutyl ether 170.41
    2,6-dimethyl-4-heptanol 72.43
    DEF 505.31
    dimethyl isosorbide 643.36
    tetrachloroethylene 944.91
    eugenol 268.28
    triacetin 453.33
    span 80 258.91
    1,4-butanediol 69.23
    1,1-dichloroethane 1023.51
    2-methyl-1-pentanol 168.37
    methyl formate 242.0
    2-methyl-1-butanol 157.2
    n-decane 14.67
    butyronitrile 259.56
    3,7-dimethyl-1-octanol 115.91
    1-chlorooctane 91.38
    1-chlorotetradecane 32.38
    n-nonane 13.49
    undecane 10.11
    tert-butylcyclohexane 38.25
    cyclooctane 19.59
    cyclopentanol 294.54
    tetrahydropyran 533.31
    tert-amyl methyl ether 265.19
    2,5,8-trioxanonane 496.55
    1-hexene 136.63
    2-isopropoxyethanol 241.33
    2,2,2-trifluoroethanol 206.38
    methyl butyrate 507.88

    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