Dibutyl Adipate

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  • Identifiers

    CAS number
    105-99-7

    Molecular formula
    C14H26O4

    SMILES
    CCCCOC(=O)CCCCC(=O)OCCCC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 82.94%
    Winey 55.87%
    Oily 51.27%
    Fatty 50.83%
    Sweet 33.15%
    Apple 32.16%
    Fermented 31.79%
    Buttery 31.13%
    Pineapple 27.75%
    Waxy 27.36%

     

    Flavor
    Fruity 85.63%
    Pineapple 64.77%
    Sweet 56.24%
    Apple 56.22%
    Fruit 51.88%
    Green 45.57%
    Tropical 44.16%
    Berry 42.56%
    Waxy 42.51%
    Wine 42.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.46 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -38 °C

    Boiling point

    • 183 °C

    Flash point

    • 142.83 ˚C est.
    • 113 °C c.c.

    Solubility expt.

    • Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)

  • Synonyms

    • DIBUTYL ADIPATE
    • 105-99-7
    • Dibutyl hexanedioate
    • Di-n-butyl adipate
    • Hexanedioic acid, dibutyl ester
    • Cetiol B
    • DTXSID2021866
    • F4K100DXP3
    • SABODERM DBA
    • NSC-8086
    • DTXCID901866
    • 203-350-4
    • RefChem:132929
    • Butyl adipate
    • Experimental tick repellent 3
    • Adipic acid dibutyl ester
    • 3 PS
    • Adipic acid, dibutyl ester
    • Experimental tick repellent 3PS
    • Dibutyl adipinate
    • NSC 8086
    • Dibutylester kyseliny adipove
    • DIBUTYLADIPATE
    • MFCD00009451
    • Adipic acid di-n-butyl ester
    • Hexanedioic acid, 1,6-dibutyl ester
    • 3PS
    • Unitolate B
    • Di-butyl adipate
    • dibutyl hexane-1,6-dioate
    • 1,6-dibutyl hexanedioate
    • EINECS 203-350-4
    • Dibutylester kyseliny adipove [Czech]
    • BRN 1790739
    • UNII-F4K100DXP3
    • AI3-00671
    • Adipic acid, bis-n-butyl ester
    • Adimoll DB
    • HEXANEDIOIC ACID DIBUTYL ESTER
    • Dibutyl adipate, 96%
    • EC 203-350-4
    • SCHEMBL43342
    • WLN: 4OV4VO4
    • Adipic acid-di-n-butyl ester
    • BIDD:ER0276
    • CHEMBL3188143
    • CHEBI:34686
    • NSC8086
    • Tox21_300166
    • LMFA07010827
    • SBB040913
    • AKOS000269039
    • FD34382
    • MSK001925-100H
    • NCGC00247916-01
    • NCGC00253959-01
    • AS-81535
    • CAS-105-99-7
    • DB-040672
    • A0655
    • CS-0187351
    • NS00011516
    • ST50214516
    • 1,4-Butanedicarboxylic acid, di-n-butylester
    • Dibutyl adipate Solution in Hexane, 100ug/mL
    • EN300-18646
    • E75800
    • F626602
    • Q27116222
    • 105-99-7

  • Applications

    Dibutyl Adipate is commonly used as a plasticizer for PVC and other polymers, improving flexibility in coatings, films, plastisols, and adhesive formulations. It also serves as a processing aid and solvent in coatings, inks, and laminates, helping dispersion and handling of formulations. In cosmetics and personal care, it is employed as an emollient and solvent/vehicle for fragrances and active ingredients. In perfumery and fragrance applications, it may serve as a solvent and carrier for fragrance components, aiding dissolution and delivery. It is sometimes evaluated as a low-volatility plasticizer in polymer blends and packaging films, with use governed by formulation requirements and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.13
    methanol 296.75
    isopropanol 231.92
    water 0.22
    ethyl acetate 351.04
    n-propanol 202.13
    acetone 584.78
    n-butanol 204.65
    acetonitrile 368.12
    DMF 626.75
    toluene 216.87
    isobutanol 174.18
    1,4-dioxane 541.68
    methyl acetate 320.28
    THF 837.59
    2-butanone 442.98
    n-pentanol 215.44
    sec-butanol 230.96
    n-hexane 45.08
    ethylene glycol 21.35
    NMP 699.24
    cyclohexane 120.74
    DMSO 792.93
    n-butyl acetate 306.93
    n-octanol 117.09
    chloroform 1772.37
    n-propyl acetate 323.07
    acetic acid 488.48
    dichloromethane 1659.82
    cyclohexanone 903.68
    propylene glycol 46.18
    isopropyl acetate 258.72
    DMAc 744.22
    2-ethoxyethanol 269.24
    isopentanol 207.91
    n-heptane 17.74
    ethyl formate 266.02
    1,2-dichloroethane 957.19
    n-hexanol 154.58
    2-methoxyethanol 320.31
    isobutyl acetate 208.08
    tetrachloromethane 206.17
    n-pentyl acetate 283.57
    transcutol 645.69
    n-heptanol 93.21
    ethylbenzene 161.29
    MIBK 235.32
    2-propoxyethanol 241.92
    tert-butanol 313.92
    MTBE 281.65
    2-butoxyethanol 198.4
    propionic acid 247.56
    o-xylene 164.05
    formic acid 97.26
    diethyl ether 231.09
    m-xylene 127.67
    p-xylene 255.55
    chlorobenzene 482.16
    dimethyl carbonate 99.57
    n-octane 15.21
    formamide 154.03
    cyclopentanone 824.86
    2-pentanone 343.44
    anisole 264.59
    cyclopentyl methyl ether 314.32
    gamma-butyrolactone 855.52
    1-methoxy-2-propanol 248.23
    pyridine 713.12
    3-pentanone 288.53
    furfural 753.98
    n-dodecane 13.93
    diethylene glycol 138.71
    diisopropyl ether 77.57
    tert-amyl alcohol 291.19
    acetylacetone 435.03
    n-hexadecane 16.26
    acetophenone 331.54
    methyl propionate 239.76
    isopentyl acetate 280.72
    trichloroethylene 1745.95
    n-nonanol 107.66
    cyclohexanol 311.18
    benzyl alcohol 248.13
    2-ethylhexanol 115.66
    isooctanol 87.61
    dipropyl ether 129.51
    1,2-dichlorobenzene 458.83
    ethyl lactate 133.4
    propylene carbonate 483.66
    n-methylformamide 268.52
    2-pentanol 147.35
    n-pentane 26.66
    1-propoxy-2-propanol 190.17
    1-methoxy-2-propyl acetate 233.76
    2-(2-methoxypropoxy) propanol 200.93
    mesitylene 90.79
    ε-caprolactone 676.25
    p-cymene 81.15
    epichlorohydrin 888.5
    1,1,1-trichloroethane 883.6
    2-aminoethanol 70.13
    morpholine-4-carbaldehyde 545.32
    sulfolane 937.29
    2,2,4-trimethylpentane 23.33
    2-methyltetrahydrofuran 578.24
    n-hexyl acetate 340.0
    isooctane 12.88
    2-(2-butoxyethoxy)ethanol 263.39
    sec-butyl acetate 213.37
    tert-butyl acetate 289.03
    decalin 50.25
    glycerin 69.76
    diglyme 570.62
    acrylic acid 209.86
    isopropyl myristate 120.02
    n-butyric acid 408.73
    acetyl acetate 287.02
    di(2-ethylhexyl) phthalate 126.93
    ethyl propionate 257.58
    nitromethane 712.3
    1,2-diethoxyethane 284.73
    benzonitrile 373.01
    trioctyl phosphate 89.3
    1-bromopropane 494.88
    gamma-valerolactone 888.26
    n-decanol 75.03
    triethyl phosphate 135.93
    4-methyl-2-pentanol 99.3
    propionitrile 297.99
    vinylene carbonate 440.4
    1,1,2-trichlorotrifluoroethane 554.97
    DMS 210.49
    cumene 104.82
    2-octanol 88.74
    2-hexanone 332.8
    octyl acetate 156.99
    limonene 120.72
    1,2-dimethoxyethane 600.43
    ethyl orthosilicate 126.31
    tributyl phosphate 124.69
    diacetone alcohol 268.93
    N,N-dimethylaniline 189.59
    acrylonitrile 351.28
    aniline 225.57
    1,3-propanediol 143.85
    bromobenzene 546.17
    dibromomethane 1096.54
    1,1,2,2-tetrachloroethane 1388.25
    2-methyl-cyclohexyl acetate 210.29
    tetrabutyl urea 161.6
    diisobutyl methanol 74.91
    2-phenylethanol 180.07
    styrene 221.08
    dioctyl adipate 200.84
    dimethyl sulfate 186.98
    ethyl butyrate 234.66
    methyl lactate 113.69
    butyl lactate 199.11
    diethyl carbonate 169.72
    propanediol butyl ether 184.99
    triethyl orthoformate 167.5
    p-tert-butyltoluene 74.32
    methyl 4-tert-butylbenzoate 252.11
    morpholine 639.88
    tert-butylamine 187.03
    n-dodecanol 56.89
    dimethoxymethane 269.34
    ethylene carbonate 384.79
    cyrene 249.6
    2-ethoxyethyl acetate 293.96
    2-ethylhexyl acetate 222.52
    1,2,4-trichlorobenzene 482.63
    4-methylpyridine 644.99
    dibutyl ether 188.25
    2,6-dimethyl-4-heptanol 74.91
    DEF 406.38
    dimethyl isosorbide 352.16
    tetrachloroethylene 857.6
    eugenol 233.76
    triacetin 305.01
    span 80 208.66
    1,4-butanediol 80.98
    1,1-dichloroethane 911.62
    2-methyl-1-pentanol 211.45
    methyl formate 204.91
    2-methyl-1-butanol 187.45
    n-decane 24.42
    butyronitrile 344.74
    3,7-dimethyl-1-octanol 116.2
    1-chlorooctane 108.91
    1-chlorotetradecane 42.7
    n-nonane 23.03
    undecane 17.47
    tert-butylcyclohexane 36.59
    cyclooctane 26.02
    cyclopentanol 314.19
    tetrahydropyran 635.17
    tert-amyl methyl ether 209.58
    2,5,8-trioxanonane 349.51
    1-hexene 169.36
    2-isopropoxyethanol 202.85
    2,2,2-trifluoroethanol 151.54
    methyl butyrate 398.68

    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