Diisopropyl Adipate

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  • Identifiers

    CAS number
    6938-94-9

    Molecular formula
    C12H22O4

    SMILES
    CC(C)OC(=O)CCCCC(=O)OC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.24%
    Fatty 45.87%
    Winey 42.63%
    Buttery 37.12%
    Oily 35.39%
    Apple 32.27%
    Sour 29.35%
    Creamy 28.39%
    Sweet 28.08%
    Cheesy 27.72%

     

    Flavor
    Fruity 90.65%
    Pineapple 55.78%
    Sweet 44.77%
    Tropical 40.9%
    Berry 38.83%
    Grape 37.08%
    Fruit 36.62%
    Apple 36.25%
    Ripe 32.32%
    Cheese 29.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.69 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -1 °C

    Boiling point

    • 251.00 to 253.00 °C. @ 760.00 mm Hg

    Flash point

    • 121.18 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • DIISOPROPYL ADIPATE
    • 6938-94-9
    • Isopropyl adipate
    • Adipic acid diisopropyl ester
    • Ceraphyl 230
    • Prodipate
    • Adipic acid, diisopropyl ester
    • Crodamol DA
    • Standamul DIPA
    • beta dia
    • Hexanedioic acid, bis(1-methylethyl) ester
    • Wickenol 116
    • Schercemol DIA
    • Tegester 504-D
    • dipropan-2-yl hexanedioate
    • Iso-adipate 2/043700
    • Diisopropyl adipat
    • NSC 56587
    • Bis(1-methylethyl)hexanedioate
    • DISOPROPYL ADIPATE
    • 1,6-bis(propan-2-yl) hexanedioate
    • EINECS 230-072-0
    • Diisopropyl adipat [IUPAC]
    • P7E6YFV72X
    • di-isopropyl adipate
    • BRN 1785346
    • bis(1-methylethyl) hexanedioate
    • DTXSID5027641
    • AI3-06066
    • MFCD00026391
    • NSC-56587
    • Hexanedioic acid, 1,6-bis(1-methylethyl) ester
    • DTXCID507641
    • CERAPHYL 230 [VANDF]
    • DIISOPROPYL ADIPATE [II]
    • FEMA NO. 4474
    • CHEBI:34711
    • EC 230-072-0
    • Diisopropyl adipat (IUPAC)
    • DIISOPROPYL ADIPATE (II)
    • UNII-P7E6YFV72X
    • Diisopropyl ester
    • Unimate DIPA
    • .beta. dia
    • Di-iso-propyl adipate
    • Diisopropyl hexanedioate #
    • SCHEMBL15391
    • BIDD:ER0603
    • CHEMBL3184058
    • WLN: 1Y1&OV4VOY1&1
    • DIISOPROPYL ADIPATE [INCI]
    • NSC56587
    • Tox21_200462
    • LMFA07010790
    • STL453777
    • AKOS015839638
    • FD62542
    • NCGC00248634-01
    • NCGC00258016-01
    • BS-42287
    • DA-54445
    • SY053047
    • CAS-6938-94-9
    • hexanedioic acid bis-(1-methylethyl) ester
    • HY-134098
    • A0654
    • CS-0138054
    • NS00009336
    • E81725
    • Q21705003
    • Z1137991589
    • 230-072-0

  • Applications

    Diisopropyl Adipate (CAS 6938-94-9) is used as a solvent and emollient in cosmetics and personal care, often serving as a solvent and skin-conditioning component in lotions, creams, and makeup formulations; in perfumery, it is used as a solvent/carrier for fragrance ingredients; in polymers and plastics, it is used as a plasticizer for polymers such as PVC; in coatings and inks, it is used as a plasticizer and solvent to adjust film formation and gloss; in household products, it is used as a solvent and conditioning component in cleaners and polishes; and in industrial manufacturing, it is used as a solvent for resin systems and other formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.96
    methanol 218.26
    isopropanol 162.78
    water 0.94
    ethyl acetate 240.47
    n-propanol 153.38
    acetone 399.05
    n-butanol 152.37
    acetonitrile 231.69
    DMF 583.08
    toluene 148.84
    isobutanol 139.59
    1,4-dioxane 334.34
    methyl acetate 254.68
    THF 531.55
    2-butanone 285.89
    n-pentanol 137.75
    sec-butanol 180.95
    n-hexane 56.65
    ethylene glycol 30.05
    NMP 667.01
    cyclohexane 79.65
    DMSO 464.03
    n-butyl acetate 167.21
    n-octanol 82.35
    chloroform 1090.06
    n-propyl acetate 164.73
    acetic acid 400.57
    dichloromethane 887.77
    cyclohexanone 494.64
    propylene glycol 60.2
    isopropyl acetate 172.6
    DMAc 705.49
    2-ethoxyethanol 166.31
    isopentanol 132.67
    n-heptane 18.46
    ethyl formate 178.81
    1,2-dichloroethane 427.08
    n-hexanol 113.83
    2-methoxyethanol 254.91
    isobutyl acetate 114.41
    tetrachloromethane 121.43
    n-pentyl acetate 134.0
    transcutol 314.44
    n-heptanol 55.71
    ethylbenzene 108.59
    MIBK 147.99
    2-propoxyethanol 188.9
    tert-butanol 233.93
    MTBE 202.75
    2-butoxyethanol 103.12
    propionic acid 210.6
    o-xylene 117.4
    formic acid 105.36
    diethyl ether 174.82
    m-xylene 99.51
    p-xylene 163.77
    chlorobenzene 247.51
    dimethyl carbonate 90.2
    n-octane 12.14
    formamide 111.85
    cyclopentanone 490.19
    2-pentanone 227.04
    anisole 159.51
    cyclopentyl methyl ether 232.58
    gamma-butyrolactone 557.99
    1-methoxy-2-propanol 204.31
    pyridine 332.93
    3-pentanone 210.46
    furfural 440.27
    n-dodecane 11.66
    diethylene glycol 124.25
    diisopropyl ether 61.07
    tert-amyl alcohol 221.16
    acetylacetone 307.47
    n-hexadecane 13.11
    acetophenone 190.42
    methyl propionate 196.85
    isopentyl acetate 151.56
    trichloroethylene 850.54
    n-nonanol 73.03
    cyclohexanol 214.79
    benzyl alcohol 153.94
    2-ethylhexanol 73.91
    isooctanol 48.95
    dipropyl ether 88.01
    1,2-dichlorobenzene 247.59
    ethyl lactate 96.49
    propylene carbonate 339.14
    n-methylformamide 217.48
    2-pentanol 110.7
    n-pentane 33.93
    1-propoxy-2-propanol 139.95
    1-methoxy-2-propyl acetate 172.68
    2-(2-methoxypropoxy) propanol 145.79
    mesitylene 65.88
    ε-caprolactone 412.58
    p-cymene 53.02
    epichlorohydrin 466.08
    1,1,1-trichloroethane 482.1
    2-aminoethanol 69.4
    morpholine-4-carbaldehyde 436.27
    sulfolane 663.25
    2,2,4-trimethylpentane 23.7
    2-methyltetrahydrofuran 350.68
    n-hexyl acetate 194.2
    isooctane 12.62
    2-(2-butoxyethoxy)ethanol 153.44
    sec-butyl acetate 124.76
    tert-butyl acetate 179.34
    decalin 43.68
    glycerin 89.01
    diglyme 269.37
    acrylic acid 177.95
    isopropyl myristate 75.89
    n-butyric acid 258.15
    acetyl acetate 212.15
    di(2-ethylhexyl) phthalate 84.97
    ethyl propionate 172.79
    nitromethane 549.23
    1,2-diethoxyethane 142.32
    benzonitrile 213.78
    trioctyl phosphate 59.46
    1-bromopropane 289.41
    gamma-valerolactone 546.04
    n-decanol 52.34
    triethyl phosphate 95.93
    4-methyl-2-pentanol 64.59
    propionitrile 185.12
    vinylene carbonate 297.41
    1,1,2-trichlorotrifluoroethane 380.84
    DMS 166.19
    cumene 74.39
    2-octanol 54.91
    2-hexanone 190.36
    octyl acetate 97.94
    limonene 80.67
    1,2-dimethoxyethane 356.03
    ethyl orthosilicate 92.18
    tributyl phosphate 83.61
    diacetone alcohol 193.31
    N,N-dimethylaniline 134.51
    acrylonitrile 218.03
    aniline 149.2
    1,3-propanediol 120.05
    bromobenzene 260.12
    dibromomethane 628.17
    1,1,2,2-tetrachloroethane 754.54
    2-methyl-cyclohexyl acetate 130.69
    tetrabutyl urea 110.28
    diisobutyl methanol 48.46
    2-phenylethanol 117.12
    styrene 122.47
    dioctyl adipate 122.31
    dimethyl sulfate 197.21
    ethyl butyrate 137.56
    methyl lactate 109.63
    butyl lactate 104.96
    diethyl carbonate 105.35
    propanediol butyl ether 111.47
    triethyl orthoformate 107.91
    p-tert-butyltoluene 53.47
    methyl 4-tert-butylbenzoate 155.04
    morpholine 353.3
    tert-butylamine 140.42
    n-dodecanol 41.3
    dimethoxymethane 236.06
    ethylene carbonate 248.03
    cyrene 181.87
    2-ethoxyethyl acetate 152.71
    2-ethylhexyl acetate 126.35
    1,2,4-trichlorobenzene 286.79
    4-methylpyridine 367.88
    dibutyl ether 104.35
    2,6-dimethyl-4-heptanol 48.46
    DEF 285.58
    dimethyl isosorbide 254.33
    tetrachloroethylene 448.51
    eugenol 135.67
    triacetin 194.24
    span 80 131.7
    1,4-butanediol 64.27
    1,1-dichloroethane 480.7
    2-methyl-1-pentanol 132.51
    methyl formate 191.31
    2-methyl-1-butanol 143.26
    n-decane 19.31
    butyronitrile 193.65
    3,7-dimethyl-1-octanol 78.83
    1-chlorooctane 71.69
    1-chlorotetradecane 30.88
    n-nonane 19.1
    undecane 14.4
    tert-butylcyclohexane 36.6
    cyclooctane 23.21
    cyclopentanol 226.56
    tetrahydropyran 345.53
    tert-amyl methyl ether 172.56
    2,5,8-trioxanonane 204.44
    1-hexene 133.96
    2-isopropoxyethanol 125.5
    2,2,2-trifluoroethanol 148.02
    methyl butyrate 225.29

    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