Diisononyl hexahydrophthalate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    166412-78-8

    Molecular formula
    C26H48O4

    SMILES
    CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C

  • Odor profile

    Fragrance
    Herbal 48.25%
    Floral 44.49%
    Oily 39.33%
    Fruity 34.81%
    Woody 34.69%
    Mint 34.47%
    Balsamic 32.22%
    Fresh 30.08%
    Sweet 29.73%
    Jasmin 28.89%

     

    Flavor
    Waxy 44.36%
    Oily 44.36%
    Fruity 33.09%
    Mild 31.21%
    Fatty 28.29%
    Green 26.46%
    Floral 23.98%
    Soapy 23.98%
    Herbal 23.96%
    Warm 23.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.12 (neutral)

    Molecular weight
    424.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 394 °C

    Flash point

    • 197.19 ˚C est.
    • 224 °C (COC)

    Solubility expt.

    • Iin water, <0.02 mg/L

  • Synonyms

    • 166412-78-8
    • Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate
    • Diisononyl hexahydrophthalate
    • DINCH
    • 318292-43-2
    • DI-ISONONYL-CYCLOHEXANE-1,2-DICARBOXYLATE
    • Hexamoll DINCH
    • Diisononyl cyclohexane-1,2-dicarboxylate
    • Hexamoll
    • Flocare 35138
    • 1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester
    • Elatur CH
    • 1,2-Bis(7-methyloctyl)cyclohexyl-1,2-dicarboxylate
    • H26MNT7GT7
    • 1,2-Cyclohexanedicarboxylic acid, bis(7-methyloctyl) ester
    • Bis(isononyl)cyclohexane 1,2-dicarboxylate
    • HEXAMOLL [HSDB]
    • 1,2-Cyclohexanedicarboxylic acid, diisononyl ester
    • HSDB 8098
    • 1,?2-?Bis(7-?methyloctyl)cyclohexyl-1,2-dicarboxylate
    • UNII-H26MNT7GT7
    • 1,2-Cyclohexane dicarboxylic acid diisononyl ester
    • 1,2-Cyclohexanedicarboxylic acid, bis(7-methyloctyl) ester (9CI); Bis(7-methyloctyl) cyclohexane-1,2-dicarboxylate; Bis(7-methyloctyl) tetrahydrophthalate
    • C26H48O4
    • diisononyl cyclohexane
    • Bis(7-methyloctyl)cyclohexane-1,2-dicarboxylate
    • DSSTox_CID_27395
    • DSSTox_RID_82317
    • DSSTox_GSID_47395
    • SCHEMBL337395
    • CHEMBL3182578
    • DTXSID8047395
    • DTXSID20274044
    • Tox21_300638
    • MFCD16038228
    • MSK163550
    • AKOS016005012
    • bis(7-Methyloctyl) tetrahydrophthalate
    • CS-W018642
    • 1,2-Cyclohexanedicarboxylic acid, bis(7-methyloctyl) ester 100 microg/mL in Acetonitrile
    • NCGC00248119-01
    • NCGC00254351-01
    • FB139381
    • 1ST163550
    • MSK163550-1000
    • CAS-166412-78-8
    • NS00002037
    • O11702
    • 1ST163550-1000
    • Q161456
    • Bis(isononyl)cyclohexane 1,2-dicarboxylate Solution in Hexane, 1000?g/mL
    • Bis(isononyl)cyclohexane 1,2-dicarboxylate Solution in Hexane, 1000mug/mL
    • 605-439-7

  • Applications

    Chemical name: Diisononyl hexahydrophthalate; CAS 166412-78-8 is primarily used as a plasticizer for flexible PVC and other polymer systems, enhancing flexibility and processability. Typical applications include coatings and inks to improve film flexibility, adhesives and sealants to impart elongation and toughness, elastomer formulations and polymer blends to increase softness, and electrical/electronic insulation materials such as cable jackets and flexible membranes. It can also function as a processing aid or softener in certain formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.59
    methanol 97.09
    isopropanol 139.08
    water 0.68
    ethyl acetate 767.33
    n-propanol 161.14
    acetone 527.9
    n-butanol 184.49
    acetonitrile 247.82
    DMF 518.94
    toluene 374.96
    isobutanol 169.35
    1,4-dioxane 605.48
    methyl acetate 530.7
    THF 1344.42
    2-butanone 687.28
    n-pentanol 162.09
    sec-butanol 226.67
    n-hexane 60.76
    ethylene glycol 8.58
    NMP 1367.41
    cyclohexane 211.34
    DMSO 475.15
    n-butyl acetate 595.01
    n-octanol 172.06
    chloroform 1826.62
    n-propyl acetate 649.41
    acetic acid 339.28
    dichloromethane 2007.92
    cyclohexanone 1622.78
    propylene glycol 26.25
    isopropyl acetate 691.86
    DMAc 1312.36
    2-ethoxyethanol 299.42
    isopentanol 222.38
    n-heptane 33.55
    ethyl formate 299.46
    1,2-dichloroethane 1342.99
    n-hexanol 134.93
    2-methoxyethanol 283.22
    isobutyl acetate 422.05
    tetrachloromethane 425.63
    n-pentyl acetate 935.52
    transcutol 1349.64
    n-heptanol 169.3
    ethylbenzene 219.8
    MIBK 528.23
    2-propoxyethanol 296.21
    tert-butanol 212.28
    MTBE 459.83
    2-butoxyethanol 427.06
    propionic acid 277.02
    o-xylene 316.27
    formic acid 66.2
    diethyl ether 390.13
    m-xylene 255.33
    p-xylene 332.79
    chlorobenzene 694.1
    dimethyl carbonate 206.57
    n-octane 24.22
    formamide 148.78
    cyclopentanone 1411.8
    2-pentanone 673.94
    anisole 394.09
    cyclopentyl methyl ether 831.72
    gamma-butyrolactone 1437.09
    1-methoxy-2-propanol 297.03
    pyridine 803.05
    3-pentanone 617.21
    furfural 923.75
    n-dodecane 14.56
    diethylene glycol 104.99
    diisopropyl ether 188.62
    tert-amyl alcohol 320.63
    acetylacetone 829.89
    n-hexadecane 17.63
    acetophenone 554.75
    methyl propionate 532.76
    isopentyl acetate 635.91
    trichloroethylene 2246.9
    n-nonanol 169.88
    cyclohexanol 441.05
    benzyl alcohol 261.28
    2-ethylhexanol 146.12
    isooctanol 175.84
    dipropyl ether 241.66
    1,2-dichlorobenzene 762.93
    ethyl lactate 218.54
    propylene carbonate 852.33
    n-methylformamide 239.14
    2-pentanol 185.33
    n-pentane 45.12
    1-propoxy-2-propanol 291.99
    1-methoxy-2-propyl acetate 577.96
    2-(2-methoxypropoxy) propanol 334.8
    mesitylene 173.72
    ε-caprolactone 1521.22
    p-cymene 130.05
    epichlorohydrin 1503.17
    1,1,1-trichloroethane 1496.32
    2-aminoethanol 41.96
    morpholine-4-carbaldehyde 901.51
    sulfolane 1589.94
    2,2,4-trimethylpentane 50.0
    2-methyltetrahydrofuran 1205.38
    n-hexyl acetate 834.04
    isooctane 22.93
    2-(2-butoxyethoxy)ethanol 461.83
    sec-butyl acetate 548.29
    tert-butyl acetate 749.28
    decalin 82.19
    glycerin 42.94
    diglyme 1079.79
    acrylic acid 196.46
    isopropyl myristate 220.22
    n-butyric acid 605.95
    acetyl acetate 551.81
    di(2-ethylhexyl) phthalate 193.92
    ethyl propionate 567.92
    nitromethane 703.85
    1,2-diethoxyethane 665.97
    benzonitrile 379.88
    trioctyl phosphate 138.67
    1-bromopropane 712.65
    gamma-valerolactone 1711.01
    n-decanol 104.58
    triethyl phosphate 249.63
    4-methyl-2-pentanol 137.25
    propionitrile 253.29
    vinylene carbonate 670.35
    1,1,2-trichlorotrifluoroethane 767.65
    DMS 464.62
    cumene 150.9
    2-octanol 162.95
    2-hexanone 543.04
    octyl acetate 297.07
    limonene 220.19
    1,2-dimethoxyethane 625.74
    ethyl orthosilicate 248.5
    tributyl phosphate 201.8
    diacetone alcohol 538.9
    N,N-dimethylaniline 271.66
    acrylonitrile 251.51
    aniline 326.64
    1,3-propanediol 100.15
    bromobenzene 796.13
    dibromomethane 1252.15
    1,1,2,2-tetrachloroethane 1917.82
    2-methyl-cyclohexyl acetate 418.1
    tetrabutyl urea 264.67
    diisobutyl methanol 100.46
    2-phenylethanol 221.78
    styrene 270.57
    dioctyl adipate 345.4
    dimethyl sulfate 416.05
    ethyl butyrate 473.36
    methyl lactate 193.07
    butyl lactate 481.1
    diethyl carbonate 291.22
    propanediol butyl ether 273.47
    triethyl orthoformate 350.47
    p-tert-butyltoluene 117.41
    methyl 4-tert-butylbenzoate 524.87
    morpholine 785.59
    tert-butylamine 147.96
    n-dodecanol 69.56
    dimethoxymethane 388.55
    ethylene carbonate 652.58
    cyrene 349.09
    2-ethoxyethyl acetate 994.38
    2-ethylhexyl acetate 533.12
    1,2,4-trichlorobenzene 902.88
    4-methylpyridine 894.06
    dibutyl ether 340.88
    2,6-dimethyl-4-heptanol 100.46
    DEF 878.82
    dimethyl isosorbide 702.18
    tetrachloroethylene 1261.06
    eugenol 394.15
    triacetin 729.15
    span 80 306.17
    1,4-butanediol 52.39
    1,1-dichloroethane 1167.31
    2-methyl-1-pentanol 220.13
    methyl formate 191.97
    2-methyl-1-butanol 239.43
    n-decane 34.15
    butyronitrile 313.58
    3,7-dimethyl-1-octanol 180.09
    1-chlorooctane 199.29
    1-chlorotetradecane 53.12
    n-nonane 31.72
    undecane 20.83
    tert-butylcyclohexane 56.91
    cyclooctane 56.17
    cyclopentanol 395.01
    tetrahydropyran 959.7
    tert-amyl methyl ether 470.28
    2,5,8-trioxanonane 542.57
    1-hexene 177.83
    2-isopropoxyethanol 282.14
    2,2,2-trifluoroethanol 199.65
    methyl butyrate 784.71

    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