Diundecyl phthalate

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  • Identifiers

    CAS number
    39393-37-8

    Molecular formula
    C30H50O4

    SMILES
    CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 53.73%
    Oily 46.86%
    Balsamic 45.68%
    Floral 44.95%
    Fatty 43.48%
    Sweet 36.16%
    Odorless 33.39%
    Fresh 27.16%
    Fruity 26.99%
    Rose 26.35%

     

    Flavor
    Waxy 39.42%
    Oily 36.49%
    Mild 33.2%
    Bland 28.86%
    Balsam 28.61%
    Faint 27.34%
    Fatty 25.67%
    Herbal 22.21%
    Slightly waxy 22.02%
    Soapy 21.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.3

    pKa est.
    7.52 (neutral)

    Molecular weight
    474.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    533°C

    Melting point expt.

    • 35.5 °C

    Flash point

    • 228.44 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • Insoluble (<1 mg/ml at 70 °F) (NTP, 1992)
    • In water, 1.11 mg/L at 20 °C

  • Synonyms

    • DIUNDECYL PHTHALATE
    • Santicizer 711
    • 1,2-Benzenedicarboxylic acid, diundecyl ester
    • diundecyl benzene-1,2-dicarboxylate
    • Di-n-undecyl phthalate
    • Phthalic acid, diundecyl ester
    • Di-711-phthalate
    • CCRIS 6198
    • HSDB 5132
    • Jayflex DUP
    • EINECS 222-884-9
    • UNII-RQV46346WV
    • BRN 1894045
    • Jayflex L 11P
    • RQV46346WV
    • DTXSID7025215
    • DTXCID205215
    • DIUNDECYL PHTHALATE [HSDB]
    • 1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester
    • 39393-37-8
    • Diundecil ftalato
    • Di711phthalate
    • Dinundecyl phthalate
    • BISOFLEX DUP
    • Diundecyl phthalic acid
    • 1,2-diundecyl benzene-1,2-dicarboxylate
    • Bioflex DUP (STAB)
    • RefChem:135229
    • Diundecyl linear phthalate
    • UNDECYL ALCOHOL, PHTHALATE
    • UNDECYL ALCOHOL, PHTHALATE (2:1)
    • 1,2Benzenedicarboxylic acid, diundecyl ester
    • 1,2Benzenedicarboxylic acid, 1,2diundecyl ester
    • 1,2-BENZENEDICARBOXYLIC ACID, DI-UNDECYL ESTER
    • 222-884-9
    • 609-667-8
    • QQVHEQUEHCEAKS-UHFFFAOYSA-N
    • 3648-20-2
    • Diundecylphthalate
    • MFCD00043729
    • Phthalic acid, bis-n-undecyl ester
    • C30H50O4
    • Diisoundec Yl Phthalate
    • Phthalic acid, bis-n-undecyl ester 100 microg/mL in Acetonitrile
    • undecyl 2-(undecyloxycarbonyl)benzoate
    • Diundecyl Phthalates
    • di-n-undecylphthalate
    • DSSTox_CID_5215
    • DSSTox_RID_78777
    • DSSTox_GSID_29565
    • SCHEMBL110916
    • Diundecyl phthalate, AldrichCPR
    • CHEMBL1495577
    • SCHEMBL30050676
    • MSK1150
    • Tox21_202509
    • Tox21_302418
    • SBB008003
    • AKOS015838920
    • s10652
    • NCGC00091274-01
    • NCGC00255261-01
    • NCGC00260058-01
    • BS-16664
    • SY025981
    • CAS-3648-20-2
    • CAS-85507-79-5
    • CS-0152173
    • NS00005379
    • ST50828238
    • Q26840991
    • 3648-20-2

  • Applications

    Diundecyl phthalate (CAS 39393-37-8) is a phthalate plasticizer used to impart flexibility and softness to PVC and other polymers. Real-world applications include: as a plasticizer for PVC and other polymers (flexible films, cables, coatings), in coatings and paints to improve flexibility and film performance, in adhesive formulations as a plasticizing component, in printing inks and related coatings for flexible, crack-resistant finishes, in automotive interiors and soft furnishings (vinyl dashboards, door trims, faux leather), and in construction materials such as vinyl flooring and wall coverings to enhance elasticity. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.71
    methanol 96.81
    isopropanol 95.76
    water 3.26
    ethyl acetate 894.72
    n-propanol 133.4
    acetone 630.54
    n-butanol 124.84
    acetonitrile 366.11
    DMF 934.79
    toluene 450.19
    isobutanol 115.03
    1,4-dioxane 549.04
    methyl acetate 741.83
    THF 1364.04
    2-butanone 781.15
    n-pentanol 100.44
    sec-butanol 149.74
    n-hexane 53.81
    ethylene glycol 12.26
    NMP 2736.05
    cyclohexane 223.44
    DMSO 795.44
    n-butyl acetate 465.63
    n-octanol 96.43
    chloroform 2509.48
    n-propyl acetate 605.79
    acetic acid 357.31
    dichloromethane 3322.49
    cyclohexanone 1810.33
    propylene glycol 25.88
    isopropyl acetate 622.49
    DMAc 2116.1
    2-ethoxyethanol 211.47
    isopentanol 125.35
    n-heptane 34.11
    ethyl formate 365.26
    1,2-dichloroethane 2153.57
    n-hexanol 72.8
    2-methoxyethanol 241.38
    isobutyl acetate 341.39
    tetrachloromethane 615.73
    n-pentyl acetate 710.69
    transcutol 770.78
    n-heptanol 100.64
    ethylbenzene 227.62
    MIBK 422.68
    2-propoxyethanol 189.73
    tert-butanol 138.19
    MTBE 350.67
    2-butoxyethanol 267.91
    propionic acid 362.76
    o-xylene 345.96
    formic acid 96.3
    diethyl ether 347.89
    m-xylene 264.69
    p-xylene 339.06
    chlorobenzene 935.59
    dimethyl carbonate 427.11
    n-octane 23.58
    formamide 260.39
    cyclopentanone 1946.88
    2-pentanone 674.06
    anisole 457.92
    cyclopentyl methyl ether 889.54
    gamma-butyrolactone 2182.26
    1-methoxy-2-propanol 232.27
    pyridine 1161.28
    3-pentanone 762.66
    furfural 1194.53
    n-dodecane 12.91
    diethylene glycol 73.38
    diisopropyl ether 147.53
    tert-amyl alcohol 212.33
    acetylacetone 979.16
    n-hexadecane 15.62
    acetophenone 655.62
    methyl propionate 777.3
    isopentyl acetate 433.45
    trichloroethylene 3592.38
    n-nonanol 102.77
    cyclohexanol 331.69
    benzyl alcohol 239.55
    2-ethylhexanol 87.78
    isooctanol 103.62
    dipropyl ether 214.6
    1,2-dichlorobenzene 1093.64
    ethyl lactate 224.76
    propylene carbonate 1184.71
    n-methylformamide 426.35
    2-pentanol 122.01
    n-pentane 46.44
    1-propoxy-2-propanol 200.03
    1-methoxy-2-propyl acetate 498.5
    2-(2-methoxypropoxy) propanol 209.5
    mesitylene 170.34
    ε-caprolactone 1626.09
    p-cymene 112.74
    epichlorohydrin 2040.03
    1,1,1-trichloroethane 2083.63
    2-aminoethanol 43.73
    morpholine-4-carbaldehyde 1204.91
    sulfolane 2665.63
    2,2,4-trimethylpentane 42.73
    2-methyltetrahydrofuran 1225.63
    n-hexyl acetate 555.65
    isooctane 16.98
    2-(2-butoxyethoxy)ethanol 265.47
    sec-butyl acetate 474.3
    tert-butyl acetate 680.28
    decalin 77.47
    glycerin 43.41
    diglyme 795.64
    acrylic acid 309.77
    isopropyl myristate 162.84
    n-butyric acid 570.47
    acetyl acetate 717.77
    di(2-ethylhexyl) phthalate 139.06
    ethyl propionate 674.05
    nitromethane 1053.15
    1,2-diethoxyethane 476.43
    benzonitrile 393.03
    trioctyl phosphate 99.25
    1-bromopropane 897.98
    gamma-valerolactone 1908.55
    n-decanol 62.8
    triethyl phosphate 263.99
    4-methyl-2-pentanol 80.48
    propionitrile 334.53
    vinylene carbonate 957.23
    1,1,2-trichlorotrifluoroethane 1037.36
    DMS 580.63
    cumene 142.06
    2-octanol 100.28
    2-hexanone 469.83
    octyl acetate 223.27
    limonene 200.3
    1,2-dimethoxyethane 536.71
    ethyl orthosilicate 242.69
    tributyl phosphate 149.02
    diacetone alcohol 448.42
    N,N-dimethylaniline 341.03
    acrylonitrile 410.25
    aniline 402.64
    1,3-propanediol 78.89
    bromobenzene 1121.14
    dibromomethane 1841.35
    1,1,2,2-tetrachloroethane 2958.02
    2-methyl-cyclohexyl acetate 351.74
    tetrabutyl urea 234.66
    diisobutyl methanol 64.44
    2-phenylethanol 163.49
    styrene 316.2
    dioctyl adipate 285.21
    dimethyl sulfate 926.86
    ethyl butyrate 460.0
    methyl lactate 265.26
    butyl lactate 368.9
    diethyl carbonate 298.16
    propanediol butyl ether 148.14
    triethyl orthoformate 315.37
    p-tert-butyltoluene 101.12
    methyl 4-tert-butylbenzoate 503.77
    morpholine 739.5
    tert-butylamine 99.66
    n-dodecanol 43.1
    dimethoxymethane 515.53
    ethylene carbonate 866.15
    cyrene 324.79
    2-ethoxyethyl acetate 839.62
    2-ethylhexyl acetate 385.72
    1,2,4-trichlorobenzene 1352.41
    4-methylpyridine 1090.56
    dibutyl ether 240.72
    2,6-dimethyl-4-heptanol 64.44
    DEF 1091.78
    dimethyl isosorbide 586.71
    tetrachloroethylene 1912.37
    eugenol 348.69
    triacetin 685.71
    span 80 194.42
    1,4-butanediol 39.5
    1,1-dichloroethane 1610.41
    2-methyl-1-pentanol 129.31
    methyl formate 335.05
    2-methyl-1-butanol 151.68
    n-decane 28.68
    butyronitrile 299.41
    3,7-dimethyl-1-octanol 97.08
    1-chlorooctane 160.97
    1-chlorotetradecane 45.83
    n-nonane 26.87
    undecane 17.77
    tert-butylcyclohexane 48.2
    cyclooctane 63.6
    cyclopentanol 385.68
    tetrahydropyran 858.35
    tert-amyl methyl ether 384.5
    2,5,8-trioxanonane 407.93
    1-hexene 147.64
    2-isopropoxyethanol 180.35
    2,2,2-trifluoroethanol 288.34
    methyl butyrate 863.46

    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