Diisobutyl phthalate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84-69-5

    Molecular formula
    C16H22O4

    SMILES
    CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 58.51%
    Sweet 58.46%
    Balsamic 53.26%
    Fruity 46.03%
    Herbal 45.85%
    Green 41.36%
    Winey 33.22%
    Rose 29.93%
    Powdery 28.67%
    Honey 26.85%

     

    Flavor
    Bitter 36.77%
    Fruity 30.98%
    Herbal 26.71%
    Sweet 21.56%
    Genet 21.32%
    Broom 21.21%
    Heather 21.18%
    Odorless 20.93%
    Ethyl benzoate 20.19%
    Aniseed 19.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.44 (neutral)

    Molecular weight
    278.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -83 °F (NTP, 1992)
    • -64 °C
    • < 25 °C
    • -37 °C

    Boiling point

    • 563 to 568 °F at 760 mmHg (NTP, 1992)
    • 296.5 °C; 159 °C at 4 mm Hg
    • 296.00 °C. @ 760.00 mm Hg
    • 320 °C

    Flash point

    • 164.53 ˚C est.
    • 385 °F (NTP, 1992)
    • 365 °F (185 °C) (Open cup)
    • 185 °C o.c.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
    • Soluble in carbon tetrachloride
    • In water, 6.2 mg/L at 24 °C
    • 0.0062 mg/mL at 24 °C
    • Solubility in water, g/100ml at 20 °C: 0.0001

  • Synonyms

    • DIISOBUTYL PHTHALATE
    • 84-69-5
    • DIBP
    • Isobutyl phthalate
    • Palatinol IC
    • Hexaplas M/1B
    • Phthalic acid, diisobutyl ester
    • Kodaflex DIBP
    • Di-iso-butyl phthalate
    • Di(i-butyl)phthalate
    • Hatcol DIBP
    • 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
    • Diisobutylester kyseliny ftalove
    • DTXSID9022522
    • isobutyl-o-phthalate
    • di-isobutyl phthalate
    • bis(2-methylpropyl) phthalate
    • 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
    • di-2-methylpropyl phthalate
    • AI3-04278 (USDA)
    • IZ67FTN290
    • NSC-15316
    • DTXCID602522
    • CHEBI:79053
    • 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate
    • RefChem:587819
    • DI(ISOBUTYL) 1,2-BENZENEDICARBOXYLATE
    • 201-553-2
    • Phthalic Acid Diisobutyl Ester
    • NSC 15316
    • bis(2-methylpropyl) benzene-1,2-dicarboxylate
    • MFCD00026480
    • di-l-butyl phthalate (DIBP)
    • 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester
    • 1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester
    • Phthalic acid, bis-isobutyl ester
    • CAS-84-69-5
    • SMR000112470
    • CCRIS 6193
    • HSDB 5247
    • EINECS 201-553-2
    • BRN 2054802
    • UNII-IZ67FTN290
    • Diisobutylester kyseliny ftalove [Czech]
    • AI3-04278
    • diisobutyl benzene-1,2-dicarboxylate
    • isobutyl O-phthalate
    • Di-Iso- Butyl Phthalate
    • Isobutyl phthalate (VAN)
    • EC 201-553-2
    • Diisobutyl phthalate, 99%
    • SCHEMBL42787
    • 4-09-00-03177 (Beilstein Handbook Reference)
    • MLS000516002
    • MLS002152902
    • BIDD:ER0640
    • 1, bis(2-methylpropyl) ester
    • SCHEMBL6953673
    • SCHEMBL6954134
    • CHEMBL1370662
    • SCHEMBL29387332
    • HMS2269D07
    • Phthalic acid, bis-iso-butyl ester
    • NSC15316
    • Tox21_202429
    • Tox21_300612
    • AKOS015837516
    • Diisobutyl phthalate (ACD/Name 4.0)
    • MSK1119-1000H
    • WLN: 1Y1&1OVR BVO1Y1&1
    • NCGC00091360-01
    • NCGC00091360-02
    • NCGC00091360-03
    • NCGC00091360-04
    • NCGC00254487-01
    • NCGC00259978-01
    • NS00010605
    • P0298
    • ST50405544
    • G77491
    • Q162259
    • Diisobutyl phthalate Solution in Hexane, 1000ug/mL
    • 1,2-benzenedicarboxylic acid di(2-methylpropyl) ester
    • 2-methylpropyl 2-[(2-methylpropyl)oxycarbonyl]benzoate
    • Phthalic acid, bis-isobutyl ester 10 microg/mL in Cyclohexane
    • Diisobutyl phthalate, certified reference material, TraceCERT(R)
    • Diisobutyl Phthalate

  • Applications

    Diisobutyl phthalate (CAS 84-69-5) is primarily used as a plasticizer for PVC and other polymers, imparting flexibility to films, sheets, cables and flexible coatings. It is also used as an additive in coatings, paints and printing inks to improve film formation and elasticity. It serves as a plasticizer in adhesives and sealants to enhance elongation and durability, and as a processing aid in polymer formulations. It is employed in rubber and elastomer formulations to increase flexibility and processability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 934.71
    methanol 855.88
    isopropanol 719.6
    water 0.88
    ethyl acetate 1821.54
    n-propanol 832.43
    acetone 2115.23
    n-butanol 830.7
    acetonitrile 2059.68
    DMF 3533.08
    toluene 1286.81
    isobutanol 723.97
    1,4-dioxane 1406.92
    methyl acetate 1947.75
    THF 2099.37
    2-butanone 2098.19
    n-pentanol 585.62
    sec-butanol 941.38
    n-hexane 142.46
    ethylene glycol 113.16
    NMP 2688.58
    cyclohexane 232.61
    DMSO 1215.27
    n-butyl acetate 1207.88
    n-octanol 313.48
    chloroform 3889.28
    n-propyl acetate 1021.13
    acetic acid 1173.41
    dichloromethane 3800.69
    cyclohexanone 2401.27
    propylene glycol 206.8
    isopropyl acetate 1189.24
    DMAc 3383.41
    2-ethoxyethanol 902.26
    isopentanol 855.63
    n-heptane 52.77
    ethyl formate 1068.09
    1,2-dichloroethane 3188.3
    n-hexanol 596.97
    2-methoxyethanol 1358.4
    isobutyl acetate 607.22
    tetrachloromethane 453.92
    n-pentyl acetate 629.46
    transcutol 1673.38
    n-heptanol 309.01
    ethylbenzene 630.49
    MIBK 1014.44
    2-propoxyethanol 1004.94
    tert-butanol 856.97
    MTBE 1333.07
    2-butoxyethanol 648.03
    propionic acid 818.56
    o-xylene 695.09
    formic acid 375.18
    diethyl ether 1262.34
    m-xylene 664.07
    p-xylene 781.74
    chlorobenzene 1609.99
    dimethyl carbonate 786.41
    n-octane 36.74
    formamide 890.84
    cyclopentanone 2488.18
    2-pentanone 1816.81
    anisole 1073.99
    cyclopentyl methyl ether 1331.86
    gamma-butyrolactone 2406.72
    1-methoxy-2-propanol 1121.22
    pyridine 2382.9
    3-pentanone 1377.99
    furfural 2096.0
    n-dodecane 27.66
    diethylene glycol 537.51
    diisopropyl ether 378.02
    tert-amyl alcohol 1042.95
    acetylacetone 1798.66
    n-hexadecane 31.52
    acetophenone 1156.6
    methyl propionate 1588.19
    isopentyl acetate 1076.8
    trichloroethylene 5516.14
    n-nonanol 284.1
    cyclohexanol 922.61
    benzyl alcohol 819.0
    2-ethylhexanol 412.25
    isooctanol 269.68
    dipropyl ether 391.1
    1,2-dichlorobenzene 1384.67
    ethyl lactate 421.98
    propylene carbonate 1527.47
    n-methylformamide 1439.66
    2-pentanol 700.25
    n-pentane 123.32
    1-propoxy-2-propanol 670.14
    1-methoxy-2-propyl acetate 1018.28
    2-(2-methoxypropoxy) propanol 471.35
    mesitylene 343.86
    ε-caprolactone 1997.76
    p-cymene 245.62
    epichlorohydrin 3489.72
    1,1,1-trichloroethane 2741.46
    2-aminoethanol 329.15
    morpholine-4-carbaldehyde 2112.61
    sulfolane 1998.61
    2,2,4-trimethylpentane 91.34
    2-methyltetrahydrofuran 2050.75
    n-hexyl acetate 813.25
    isooctane 47.85
    2-(2-butoxyethoxy)ethanol 694.29
    sec-butyl acetate 764.52
    tert-butyl acetate 1111.25
    decalin 134.09
    glycerin 231.9
    diglyme 1339.75
    acrylic acid 730.63
    isopropyl myristate 257.29
    n-butyric acid 1330.55
    acetyl acetate 1157.72
    di(2-ethylhexyl) phthalate 240.59
    ethyl propionate 931.91
    nitromethane 2651.57
    1,2-diethoxyethane 867.53
    benzonitrile 1215.4
    trioctyl phosphate 173.11
    1-bromopropane 1786.73
    gamma-valerolactone 2761.9
    n-decanol 194.34
    triethyl phosphate 299.56
    4-methyl-2-pentanol 394.57
    propionitrile 1427.51
    vinylene carbonate 1336.44
    1,1,2-trichlorotrifluoroethane 1666.62
    DMS 815.68
    cumene 340.7
    2-octanol 237.63
    2-hexanone 1045.81
    octyl acetate 359.13
    limonene 380.11
    1,2-dimethoxyethane 1477.61
    ethyl orthosilicate 294.33
    tributyl phosphate 248.03
    diacetone alcohol 1102.68
    N,N-dimethylaniline 722.8
    acrylonitrile 1701.73
    aniline 1162.44
    1,3-propanediol 565.39
    bromobenzene 1757.59
    dibromomethane 2750.85
    1,1,2,2-tetrachloroethane 4508.65
    2-methyl-cyclohexyl acetate 507.45
    tetrabutyl urea 313.63
    diisobutyl methanol 213.95
    2-phenylethanol 702.05
    styrene 817.21
    dioctyl adipate 341.8
    dimethyl sulfate 944.14
    ethyl butyrate 675.08
    methyl lactate 641.68
    butyl lactate 451.39
    diethyl carbonate 457.04
    propanediol butyl ether 446.95
    triethyl orthoformate 405.03
    p-tert-butyltoluene 232.16
    methyl 4-tert-butylbenzoate 575.41
    morpholine 2051.18
    tert-butylamine 579.98
    n-dodecanol 140.11
    dimethoxymethane 1507.53
    ethylene carbonate 1176.04
    cyrene 511.78
    2-ethoxyethyl acetate 842.02
    2-ethylhexyl acetate 820.5
    1,2,4-trichlorobenzene 1511.37
    4-methylpyridine 2887.33
    dibutyl ether 384.24
    2,6-dimethyl-4-heptanol 213.95
    DEF 2315.95
    dimethyl isosorbide 848.89
    tetrachloroethylene 2372.74
    eugenol 539.68
    triacetin 582.8
    span 80 384.86
    1,4-butanediol 253.77
    1,1-dichloroethane 3123.52
    2-methyl-1-pentanol 688.97
    methyl formate 1061.44
    2-methyl-1-butanol 908.5
    n-decane 47.04
    butyronitrile 1463.86
    3,7-dimethyl-1-octanol 349.57
    1-chlorooctane 298.29
    1-chlorotetradecane 99.59
    n-nonane 45.86
    undecane 34.44
    tert-butylcyclohexane 111.18
    cyclooctane 74.47
    cyclopentanol 834.15
    tetrahydropyran 1739.18
    tert-amyl methyl ether 1179.98
    2,5,8-trioxanonane 746.93
    1-hexene 550.98
    2-isopropoxyethanol 667.7
    2,2,2-trifluoroethanol 525.77
    methyl butyrate 1334.23

    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