Diheptyl phthalate

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  • Identifiers

    CAS number
    3648-21-3

    Molecular formula
    C22H34O4

    SMILES
    CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 66.07%
    Balsamic 58.48%
    Herbal 56.86%
    Green 52.47%
    Oily 45.07%
    Fresh 38.75%
    Sweet 38.31%
    Fruity 36.68%
    Jasmin 36.41%
    Waxy 31.11%

     

    Flavor
    Herbal 36.32%
    Oily 32.53%
    Balsam 32.02%
    Waxy 31.66%
    Woody 25.43%
    Fruity 24.33%
    Warm 23.13%
    Mild 22.79%
    Sappy 21.75%
    Floral 21.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    6.37 (neutral)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 360 °C

    Flash point

    • 199.78 ˚C est.
    • 224 °C c.c.

    Solubility expt.

    • Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
    • 0.01% in water
    • Sol in benzene, toluene, petrol, kerosene, and mineral oils

  • Synonyms

    • DIHEPTYL PHTHALATE
    • 3648-21-3
    • Di-n-heptyl phthalate
    • Heptyl phthalate
    • 1,2-Benzenedicarboxylic acid, diheptyl ester
    • Di-n-Heptylphthalate
    • diheptyl benzene-1,2-dicarboxylate
    • Phthalic Acid Diheptyl Ester
    • Phthalic acid, diheptyl ester
    • N-Diheptyl phthalate
    • HSDB 344
    • Diheptyl ester of phthalic acid
    • CHEBI:34677
    • Diheptyl 1,2-benzenedicarboxylate
    • UNII-IE05VO8P8P
    • EINECS 222-885-4
    • IE05VO8P8P
    • MFCD00043680
    • BRN 2336623
    • DTXSID8040779
    • 1,2-Benzenedicarboxylic acid diheptyl ester
    • DTXCID608662
    • DIHEPTYL PHTHALATE [HSDB]
    • Phthalic acid, bis-n-heptyl ester
    • 4-09-00-03180 (Beilstein Handbook Reference)
    • Phthalic acid, bis-n-heptyl ester 100 microg/mL in Acetonitrile
    • Diisoheptyl Phthalate (mixture of C7 isomers)
    • diheptylphthalate
    • C7-Rich Di-C6-8-branched Alkyl Esters-1,2-Benzenedicarboxylic Acid;
    • Dinheptylphthalate
    • Dinheptyl phthalate
    • NDiheptyl phthalate
    • Diheptyl phthalate, 97%
    • Epitope ID:140106
    • BIDD:ER0462
    • SCHEMBL124977
    • CHEMBL2140472
    • Diheptyl 1,2benzenedicarboxylate
    • C22H34O4
    • DAA64821
    • Tox21_303892
    • AKOS015838912
    • CS-W011819
    • Diheptyl phthalate, analytical standard
    • HY-W011103
    • NCGC00164188-01
    • NCGC00356968-01
    • SY040431
    • CAS-3648-21-3
    • 1,2Benzenedicarboxylic acid, diheptyl ester
    • NS00015469
    • S10653
    • 1,2-Benzenedicarboxylic acid, 1,2-diheptyl ester
    • Q2943515
    • Diisoheptyl Phthalate (mixture of C7 primary and secondary chains)
    • 1,2-Benzenedicarboxylic acid, diisoheptyl ester (9CI); Diisoheptyl phthalate; Jayflex 77; Jayflex DIHP 77

  • Applications

    Diheptyl phthalate (CAS 3648-21-3) is a phthalate plasticizer primarily used to impart flexibility to PVC and other polymer systems; in practice it serves as a processing aid in the production of flexible vinyl formulations and as a plasticizer for coatings and inks. It is commonly used in adhesives and sealants to improve film flexibility, in elastomer blends to increase pliability, and in vinyl-based materials used for electrical insulation, flooring, and wall coverings, among other consumer and industrial products. Its role is that of a plasticizer, not a reactive monomer, and its use is typically considered within the scope of local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 346.3
    methanol 390.78
    isopropanol 274.12
    water 1.07
    ethyl acetate 2145.95
    n-propanol 457.13
    acetone 1844.4
    n-butanol 405.71
    acetonitrile 1291.09
    DMF 3650.23
    toluene 1472.06
    isobutanol 373.3
    1,4-dioxane 1167.01
    methyl acetate 2007.43
    THF 2536.35
    2-butanone 2201.61
    n-pentanol 305.38
    sec-butanol 459.38
    n-hexane 83.64
    ethylene glycol 45.64
    NMP 6315.12
    cyclohexane 282.33
    DMSO 2159.93
    n-butyl acetate 1057.05
    n-octanol 155.78
    chloroform 5829.17
    n-propyl acetate 1242.89
    acetic acid 827.94
    dichloromethane 8184.9
    cyclohexanone 3875.07
    propylene glycol 87.07
    isopropyl acetate 1326.27
    DMAc 5085.23
    2-ethoxyethanol 610.18
    isopentanol 414.89
    n-heptane 35.5
    ethyl formate 842.91
    1,2-dichloroethane 6333.99
    n-hexanol 223.56
    2-methoxyethanol 792.58
    isobutyl acetate 671.34
    tetrachloromethane 928.33
    n-pentyl acetate 1022.56
    transcutol 1801.88
    n-heptanol 169.38
    ethylbenzene 549.43
    MIBK 958.16
    2-propoxyethanol 557.62
    tert-butanol 392.46
    MTBE 876.83
    2-butoxyethanol 493.94
    propionic acid 880.58
    o-xylene 865.3
    formic acid 229.7
    diethyl ether 916.61
    m-xylene 700.28
    p-xylene 743.45
    chlorobenzene 2405.66
    dimethyl carbonate 1034.52
    n-octane 22.33
    formamide 750.68
    cyclopentanone 4296.8
    2-pentanone 1798.62
    anisole 1113.7
    cyclopentyl methyl ether 1992.27
    gamma-butyrolactone 4520.39
    1-methoxy-2-propanol 696.4
    pyridine 3290.77
    3-pentanone 1938.92
    furfural 2882.15
    n-dodecane 15.12
    diethylene glycol 251.9
    diisopropyl ether 306.93
    tert-amyl alcohol 545.89
    acetylacetone 2133.42
    n-hexadecane 18.46
    acetophenone 1462.84
    methyl propionate 2036.61
    isopentyl acetate 972.49
    trichloroethylene 9693.05
    n-nonanol 159.96
    cyclohexanol 821.24
    benzyl alcohol 683.52
    2-ethylhexanol 197.07
    isooctanol 168.45
    dipropyl ether 370.56
    1,2-dichlorobenzene 2495.67
    ethyl lactate 444.76
    propylene carbonate 2251.66
    n-methylformamide 1410.85
    2-pentanol 359.86
    n-pentane 76.26
    1-propoxy-2-propanol 465.92
    1-methoxy-2-propyl acetate 1125.48
    2-(2-methoxypropoxy) propanol 437.58
    mesitylene 377.1
    ε-caprolactone 3131.73
    p-cymene 213.69
    epichlorohydrin 5117.98
    1,1,1-trichloroethane 4387.01
    2-aminoethanol 167.26
    morpholine-4-carbaldehyde 2834.22
    sulfolane 5152.73
    2,2,4-trimethylpentane 64.67
    2-methyltetrahydrofuran 2493.7
    n-hexyl acetate 935.28
    isooctane 29.37
    2-(2-butoxyethoxy)ethanol 561.95
    sec-butyl acetate 935.48
    tert-butyl acetate 1387.85
    decalin 123.36
    glycerin 134.8
    diglyme 1443.61
    acrylic acid 820.58
    isopropyl myristate 263.44
    n-butyric acid 1272.53
    acetyl acetate 1492.61
    di(2-ethylhexyl) phthalate 254.8
    ethyl propionate 1328.84
    nitromethane 2796.78
    1,2-diethoxyethane 990.34
    benzonitrile 1148.66
    trioctyl phosphate 160.29
    1-bromopropane 2572.91
    gamma-valerolactone 3984.52
    n-decanol 104.33
    triethyl phosphate 404.75
    4-methyl-2-pentanol 207.62
    propionitrile 1164.6
    vinylene carbonate 1883.77
    1,1,2-trichlorotrifluoroethane 2468.59
    DMS 1180.15
    cumene 295.63
    2-octanol 149.04
    2-hexanone 997.74
    octyl acetate 364.44
    limonene 370.67
    1,2-dimethoxyethane 1211.49
    ethyl orthosilicate 361.55
    tributyl phosphate 255.39
    diacetone alcohol 975.19
    N,N-dimethylaniline 781.24
    acrylonitrile 1593.1
    aniline 1359.7
    1,3-propanediol 264.68
    bromobenzene 2889.84
    dibromomethane 4706.04
    1,1,2,2-tetrachloroethane 7649.52
    2-methyl-cyclohexyl acetate 615.32
    tetrabutyl urea 378.83
    diisobutyl methanol 130.64
    2-phenylethanol 474.05
    styrene 833.75
    dioctyl adipate 438.14
    dimethyl sulfate 1927.81
    ethyl butyrate 826.23
    methyl lactate 668.92
    butyl lactate 591.14
    diethyl carbonate 526.32
    propanediol butyl ether 307.72
    triethyl orthoformate 483.12
    p-tert-butyltoluene 192.74
    methyl 4-tert-butylbenzoate 771.43
    morpholine 1946.75
    tert-butylamine 275.52
    n-dodecanol 74.74
    dimethoxymethane 1495.87
    ethylene carbonate 1619.49
    cyrene 607.9
    2-ethoxyethyl acetate 1447.47
    2-ethylhexyl acetate 822.42
    1,2,4-trichlorobenzene 3103.35
    4-methylpyridine 3331.15
    dibutyl ether 378.68
    2,6-dimethyl-4-heptanol 130.64
    DEF 3172.86
    dimethyl isosorbide 1080.78
    tetrachloroethylene 4409.94
    eugenol 617.82
    triacetin 1038.67
    span 80 355.09
    1,4-butanediol 120.43
    1,1-dichloroethane 4493.32
    2-methyl-1-pentanol 356.84
    methyl formate 913.05
    2-methyl-1-butanol 511.29
    n-decane 28.72
    butyronitrile 911.36
    3,7-dimethyl-1-octanol 192.49
    1-chlorooctane 239.69
    1-chlorotetradecane 74.43
    n-nonane 26.87
    undecane 19.42
    tert-butylcyclohexane 75.46
    cyclooctane 72.27
    cyclopentanol 901.04
    tetrahydropyran 1842.82
    tert-amyl methyl ether 896.93
    2,5,8-trioxanonane 785.19
    1-hexene 356.02
    2-isopropoxyethanol 467.87
    2,2,2-trifluoroethanol 541.95
    methyl butyrate 1699.31

    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