Dihexyl phthalate

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  • Identifiers

    CAS number
    84-75-3

    Molecular formula
    C20H30O4

    SMILES
    CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 70.37%
    Floral 69.54%
    Herbal 65.76%
    Balsamic 61.95%
    Fruity 45.3%
    Oily 42.17%
    Sweet 40.77%
    Fresh 38.69%
    Jasmin 38.59%
    Woody 32.06%

     

    Flavor
    Herbal 37.13%
    Balsam 32.91%
    Oily 29.07%
    Waxy 28.35%
    Woody 26.44%
    Fruity 25.4%
    Green 24.01%
    Floral 23.36%
    Warm 22.31%
    Sappy 22.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    6.04 (neutral)

    Molecular weight
    334.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -72 °F (NTP, 1992)
    • -58 °C
    • -72 °F

    Boiling point

    • 662 °F at 735 mmHg (NTP, 1992)
    • 210 °C at 5 mm Hg
    • 662 °F at 735 mmHg

    Flash point

    • 190.59 ˚C est.
    • 350 °F (NTP, 1992)
    • 381 °F; 193 °C /(method not specified)/
    • 350 °F

    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/
    • In water, 0.05 mg/L at 25 °C

  • Synonyms

    • DIHEXYL PHTHALATE
    • Di-n-hexyl phthalate
    • 84-75-3
    • Di-n-hexylphthalate
    • dihexyl benzene-1,2-dicarboxylate
    • 1,2-Benzenedicarboxylic acid, dihexyl ester
    • Phthalic acid, dihexyl ester
    • N-Dihexyl phthalate
    • phthalic acid dihexyl ester
    • Bis(n-hexyl) phthalate
    • Hexyl phthalate, 1,2-
    • Dihexyl 1,2-benzenedicarboxylate
    • Di(n-hexyl)phthalate
    • Dihexylester kyseliny ftalove
    • CCRIS 6192
    • Phthalic Acid Di-n-hexyl Ester
    • HSDB 4490
    • NSC 4817
    • 1,2-Benzenedioic acid dihexyl ester
    • AI3-04274 (USDA)
    • EINECS 201-559-5
    • 42MAH1QFG5
    • Dihexylester kyseliny ftalove [Czech]
    • BRN 1886839
    • DTXSID6025068
    • AI3-04274
    • NSC-4817
    • MFCD00043720
    • 1,2-dihexyl benzene-1,2-dicarboxylate
    • DTXCID505068
    • Phthalic acid, bis-hexyl ester
    • DIHEXYL PHTHALATE [HSDB]
    • CHEBI:34678
    • dihexylphthalate
    • 1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester
    • Phthalic acid, bis-hexyl ester 10 microg/mL in Cyclohexane
    • Dihexylester Kyseliny Ftalove (Czech)
    • CAS-84-75-3
    • UNII-42MAH1QFG5
    • Dinhexylphthalate
    • Dinhexyl phthalate
    • nDihexyl phthalate
    • 1, dihexyl ester
    • Bis(nhexyl) phthalate
    • DnC6P
    • 1,2-Hexyl phthalate
    • Hexyl phthalate, 1,2
    • Di-N-hexyl phthalic acid
    • di(2-ethylbutyl) phthalate
    • WLN: 6OVR BVO6
    • SCHEMBL50751
    • BIDD:ER0642
    • Dihexyl 1,2benzenedicarboxylate
    • CHEMBL3181956
    • NSC4817
    • DIHEXYL ESTER PHTHALIC ACID
    • 1,2Benzenedioic acid dihexyl ester
    • PHTHALIC ACID, DIHEXYL ETHER
    • Tox21_202420
    • Tox21_300165
    • DI(2-ETHYLBUTYL) PHTHA}1-E
    • Dihexyl phthalate, analytical standard
    • AKOS015839890
    • CS-W011931
    • HY-W011215
    • NCGC00247915-01
    • NCGC00247915-02
    • NCGC00254224-01
    • NCGC00259969-01
    • AS-56842
    • SY032083
    • 1,2Benzenedicarboxylic acid, dihexyl ester
    • DB-056820
    • NS00006086
    • P1344
    • S10762
    • 1,2-Benzenedicarboxylic acid 1,2-dihexyl ester
    • EN300-1073399
    • phthalic acid, dihexyl ester branched and linear
    • Q26841288
    • F0001-2135
    • 201-559-5

  • Applications

    Dihexyl phthalate (CAS 84-75-3) is primarily used as a plasticizer for PVC and other polymers to impart flexibility and processability. In practice, it is employed in coatings and inks formulations to achieve flexible, durable films; in adhesive and sealant formulations to improve elasticity and tack; in rubber and elastomer compounds to increase softness; in electrical insulation and related polymer components for wires and cables; and in flexible packaging films and related coatings where plasticization is needed, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 434.79
    methanol 522.0
    isopropanol 307.95
    water 0.68
    ethyl acetate 2219.7
    n-propanol 497.91
    acetone 2049.54
    n-butanol 447.05
    acetonitrile 1477.89
    DMF 4375.58
    toluene 1522.45
    isobutanol 404.06
    1,4-dioxane 1155.95
    methyl acetate 2052.82
    THF 2379.75
    2-butanone 2279.06
    n-pentanol 309.98
    sec-butanol 464.69
    n-hexane 76.17
    ethylene glycol 59.36
    NMP 6098.55
    cyclohexane 224.97
    DMSO 2319.63
    n-butyl acetate 1042.52
    n-octanol 141.74
    chloroform 5535.37
    n-propyl acetate 1131.78
    acetic acid 912.84
    dichloromethane 7657.77
    cyclohexanone 3695.75
    propylene glycol 98.56
    isopropyl acetate 1381.18
    DMAc 5078.84
    2-ethoxyethanol 664.27
    isopentanol 455.75
    n-heptane 30.31
    ethyl formate 825.79
    1,2-dichloroethane 6311.46
    n-hexanol 243.44
    2-methoxyethanol 953.14
    isobutyl acetate 615.43
    tetrachloromethane 737.47
    n-pentyl acetate 837.14
    transcutol 1885.66
    n-heptanol 151.36
    ethylbenzene 528.37
    MIBK 979.5
    2-propoxyethanol 632.24
    tert-butanol 430.59
    MTBE 877.1
    2-butoxyethanol 461.42
    propionic acid 883.46
    o-xylene 801.81
    formic acid 267.42
    diethyl ether 1006.09
    m-xylene 712.4
    p-xylene 708.06
    chlorobenzene 2347.44
    dimethyl carbonate 1088.57
    n-octane 18.69
    formamide 866.24
    cyclopentanone 4130.04
    2-pentanone 1859.87
    anisole 1107.46
    cyclopentyl methyl ether 1863.31
    gamma-butyrolactone 4327.86
    1-methoxy-2-propanol 768.5
    pyridine 3399.38
    3-pentanone 1945.26
    furfural 2842.04
    n-dodecane 13.77
    diethylene glycol 319.72
    diisopropyl ether 310.88
    tert-amyl alcohol 541.41
    acetylacetone 2282.42
    n-hexadecane 16.71
    acetophenone 1378.57
    methyl propionate 2146.97
    isopentyl acetate 967.4
    trichloroethylene 9521.64
    n-nonanol 142.97
    cyclohexanol 788.64
    benzyl alcohol 679.56
    2-ethylhexanol 203.02
    isooctanol 151.28
    dipropyl ether 349.26
    1,2-dichlorobenzene 2313.55
    ethyl lactate 415.05
    propylene carbonate 2057.04
    n-methylformamide 1632.12
    2-pentanol 380.6
    n-pentane 71.45
    1-propoxy-2-propanol 476.55
    1-methoxy-2-propyl acetate 1134.02
    2-(2-methoxypropoxy) propanol 444.97
    mesitylene 364.39
    ε-caprolactone 2956.24
    p-cymene 203.06
    epichlorohydrin 5063.55
    1,1,1-trichloroethane 4150.64
    2-aminoethanol 198.87
    morpholine-4-carbaldehyde 2804.14
    sulfolane 4791.48
    2,2,4-trimethylpentane 57.31
    2-methyltetrahydrofuran 2304.65
    n-hexyl acetate 808.54
    isooctane 29.47
    2-(2-butoxyethoxy)ethanol 566.99
    sec-butyl acetate 873.3
    tert-butyl acetate 1397.13
    decalin 111.43
    glycerin 155.16
    diglyme 1388.85
    acrylic acid 825.33
    isopropyl myristate 245.51
    n-butyric acid 1256.51
    acetyl acetate 1514.58
    di(2-ethylhexyl) phthalate 248.81
    ethyl propionate 1239.36
    nitromethane 3042.28
    1,2-diethoxyethane 955.34
    benzonitrile 1167.62
    trioctyl phosphate 151.63
    1-bromopropane 2524.28
    gamma-valerolactone 3898.39
    n-decanol 95.77
    triethyl phosphate 371.24
    4-methyl-2-pentanol 216.81
    propionitrile 1292.46
    vinylene carbonate 1751.68
    1,1,2-trichlorotrifluoroethane 2319.0
    DMS 1141.06
    cumene 286.34
    2-octanol 126.33
    2-hexanone 937.39
    octyl acetate 333.08
    limonene 352.62
    1,2-dimethoxyethane 1253.89
    ethyl orthosilicate 323.33
    tributyl phosphate 246.22
    diacetone alcohol 980.58
    N,N-dimethylaniline 748.94
    acrylonitrile 1831.62
    aniline 1359.16
    1,3-propanediol 314.97
    bromobenzene 2802.51
    dibromomethane 4434.91
    1,1,2,2-tetrachloroethane 7370.06
    2-methyl-cyclohexyl acetate 559.29
    tetrabutyl urea 348.26
    diisobutyl methanol 131.68
    2-phenylethanol 483.67
    styrene 805.69
    dioctyl adipate 396.63
    dimethyl sulfate 1836.62
    ethyl butyrate 761.16
    methyl lactate 694.19
    butyl lactate 509.63
    diethyl carbonate 489.99
    propanediol butyl ether 295.83
    triethyl orthoformate 438.53
    p-tert-butyltoluene 190.79
    methyl 4-tert-butylbenzoate 712.77
    morpholine 1939.15
    tert-butylamine 297.16
    n-dodecanol 70.83
    dimethoxymethane 1735.39
    ethylene carbonate 1521.26
    cyrene 595.4
    2-ethoxyethyl acetate 1256.12
    2-ethylhexyl acetate 794.14
    1,2,4-trichlorobenzene 2735.22
    4-methylpyridine 3481.6
    dibutyl ether 344.49
    2,6-dimethyl-4-heptanol 131.68
    DEF 3258.62
    dimethyl isosorbide 1050.02
    tetrachloroethylene 4172.54
    eugenol 586.87
    triacetin 887.3
    span 80 343.99
    1,4-butanediol 131.61
    1,1-dichloroethane 4431.53
    2-methyl-1-pentanol 375.05
    methyl formate 1001.27
    2-methyl-1-butanol 534.16
    n-decane 24.42
    butyronitrile 998.37
    3,7-dimethyl-1-octanol 182.59
    1-chlorooctane 202.12
    1-chlorotetradecane 69.64
    n-nonane 22.15
    undecane 17.2
    tert-butylcyclohexane 71.03
    cyclooctane 59.12
    cyclopentanol 835.64
    tetrahydropyran 1741.3
    tert-amyl methyl ether 876.32
    2,5,8-trioxanonane 793.77
    1-hexene 342.7
    2-isopropoxyethanol 477.13
    2,2,2-trifluoroethanol 514.75
    methyl butyrate 1577.8

    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