Decamethylene dibenzoate

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  • Identifiers

    CAS number
    94160-13-1

    Molecular formula
    C24H30O4

    SMILES
    C1=CC=C(C=C1)C(=O)OCCCCCCCCCCOC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 66.13%
    Floral 44.78%
    Sweet 42.88%
    Herbal 39.03%
    Oily 33.81%
    Rose 31.5%
    Fruity 29.53%
    Fresh 29.27%
    Green 27.58%
    Fatty 26.22%

     

    Flavor
    Balsam 60.57%
    Fruity 47.29%
    Waxy 41.86%
    Oily 37.17%
    Floral 36.16%
    Green 34.4%
    Herbal 29.77%
    Amber 29.45%
    Wine 27.02%
    Jasmin 26.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    6.39 (neutral)

    Molecular weight
    382.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    501°C

    Flash point

    • 218.94 ˚C est.

  • Synonyms

    • Decamethylene dibenzoate
    • J9WH9H0UWL
    • 1,10-Decanediol, dibenzoate
    • UNII-J9WH9H0UWL
    • EINECS 303-295-7
    • DTXSID90240892
    • 1,10-DECANEDIOL, 1,10-DIBENZOATE
    • RefChem:131174
    • DTXCID20163383
    • 303-295-7
    • 94160-13-1
    • 10-benzoyloxydecyl benzoate
    • decamethylene glycol dibenzoate
    • Decane-1,10-diyl dibenzoate
    • orb1697517
    • SCHEMBL11896606
    • JRQMQZLDGAFURO-UHFFFAOYSA-N
    • AKOS030593434
    • NS00040197
    • 94160-13-1

  • Applications

    Decamethylene dibenzoate (CAS 94160-13-1) is primarily used as a plasticizer for polymers, notably PVC, to improve flexibility and processability; it can also function as a processing aid or solvent in coatings and inks to adjust processability and film formation; in adhesive and sealant formulations it acts as a plasticizing component that enhances flexibility and compatibility among constituents; and it is evaluated as a specialty plasticizer for niche polymer or elastomer systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.6
    methanol 24.34
    isopropanol 14.32
    water 0.29
    ethyl acetate 110.44
    n-propanol 20.01
    acetone 162.3
    n-butanol 20.5
    acetonitrile 79.24
    DMF 201.83
    toluene 93.95
    isobutanol 16.1
    1,4-dioxane 132.12
    methyl acetate 108.8
    THF 386.84
    2-butanone 148.76
    n-pentanol 21.01
    sec-butanol 22.83
    n-hexane 6.93
    ethylene glycol 2.49
    NMP 395.67
    cyclohexane 27.37
    DMSO 225.06
    n-butyl acetate 62.82
    n-octanol 16.72
    chloroform 716.91
    n-propyl acetate 75.94
    acetic acid 63.02
    dichloromethane 972.98
    cyclohexanone 344.37
    propylene glycol 4.64
    isopropyl acetate 71.1
    DMAc 415.94
    2-ethoxyethanol 47.27
    isopentanol 21.69
    n-heptane 4.93
    ethyl formate 65.26
    1,2-dichloroethane 565.61
    n-hexanol 14.78
    2-methoxyethanol 52.82
    isobutyl acetate 40.53
    tetrachloromethane 82.5
    n-pentyl acetate 79.99
    transcutol 157.94
    n-heptanol 17.97
    ethylbenzene 42.63
    MIBK 69.5
    2-propoxyethanol 41.2
    tert-butanol 20.48
    MTBE 45.66
    2-butoxyethanol 49.17
    propionic acid 51.51
    o-xylene 56.67
    formic acid 20.08
    diethyl ether 54.42
    m-xylene 44.81
    p-xylene 57.36
    chlorobenzene 174.64
    dimethyl carbonate 61.15
    n-octane 3.82
    formamide 64.01
    cyclopentanone 399.83
    2-pentanone 122.11
    anisole 80.35
    cyclopentyl methyl ether 136.38
    gamma-butyrolactone 400.42
    1-methoxy-2-propanol 42.68
    pyridine 260.3
    3-pentanone 124.59
    furfural 277.64
    n-dodecane 2.49
    diethylene glycol 19.46
    diisopropyl ether 18.17
    tert-amyl alcohol 28.49
    acetylacetone 171.57
    n-hexadecane 2.93
    acetophenone 111.85
    methyl propionate 104.46
    isopentyl acetate 57.35
    trichloroethylene 951.98
    n-nonanol 17.6
    cyclohexanol 52.16
    benzyl alcohol 52.9
    2-ethylhexanol 17.07
    isooctanol 17.56
    dipropyl ether 34.26
    1,2-dichlorobenzene 190.87
    ethyl lactate 33.23
    propylene carbonate 184.04
    n-methylformamide 84.07
    2-pentanol 17.73
    n-pentane 5.55
    1-propoxy-2-propanol 36.49
    1-methoxy-2-propyl acetate 70.88
    2-(2-methoxypropoxy) propanol 46.66
    mesitylene 25.73
    ε-caprolactone 246.01
    p-cymene 20.53
    epichlorohydrin 501.84
    1,1,1-trichloroethane 344.84
    2-aminoethanol 8.34
    morpholine-4-carbaldehyde 209.32
    sulfolane 452.82
    2,2,4-trimethylpentane 4.91
    2-methyltetrahydrofuran 200.19
    n-hexyl acetate 68.85
    isooctane 2.29
    2-(2-butoxyethoxy)ethanol 58.93
    sec-butyl acetate 51.44
    tert-butyl acetate 81.23
    decalin 10.53
    glycerin 9.01
    diglyme 168.8
    acrylic acid 50.11
    isopropyl myristate 24.65
    n-butyric acid 77.93
    acetyl acetate 82.28
    di(2-ethylhexyl) phthalate 24.95
    ethyl propionate 74.09
    nitromethane 213.69
    1,2-diethoxyethane 80.99
    benzonitrile 87.65
    trioctyl phosphate 17.38
    1-bromopropane 180.57
    gamma-valerolactone 415.01
    n-decanol 11.95
    triethyl phosphate 39.66
    4-methyl-2-pentanol 12.63
    propionitrile 62.26
    vinylene carbonate 168.27
    1,1,2-trichlorotrifluoroethane 202.65
    DMS 77.5
    cumene 23.95
    2-octanol 15.09
    2-hexanone 81.05
    octyl acetate 32.95
    limonene 30.13
    1,2-dimethoxyethane 128.31
    ethyl orthosilicate 37.61
    tributyl phosphate 24.39
    diacetone alcohol 69.48
    N,N-dimethylaniline 53.14
    acrylonitrile 85.77
    aniline 76.92
    1,3-propanediol 15.43
    bromobenzene 205.43
    dibromomethane 510.26
    1,1,2,2-tetrachloroethane 696.18
    2-methyl-cyclohexyl acetate 52.75
    tetrabutyl urea 40.34
    diisobutyl methanol 12.57
    2-phenylethanol 37.12
    styrene 59.03
    dioctyl adipate 45.77
    dimethyl sulfate 127.39
    ethyl butyrate 63.67
    methyl lactate 40.43
    butyl lactate 49.02
    diethyl carbonate 42.63
    propanediol butyl ether 29.39
    triethyl orthoformate 49.67
    p-tert-butyltoluene 18.11
    methyl 4-tert-butylbenzoate 76.68
    morpholine 153.29
    tert-butylamine 14.29
    n-dodecanol 8.85
    dimethoxymethane 116.23
    ethylene carbonate 134.15
    cyrene 73.3
    2-ethoxyethyl acetate 104.47
    2-ethylhexyl acetate 49.31
    1,2,4-trichlorobenzene 215.13
    4-methylpyridine 214.28
    dibutyl ether 37.69
    2,6-dimethyl-4-heptanol 12.57
    DEF 161.27
    dimethyl isosorbide 123.0
    tetrachloroethylene 435.98
    eugenol 62.92
    triacetin 90.91
    span 80 39.52
    1,4-butanediol 8.66
    1,1-dichloroethane 335.98
    2-methyl-1-pentanol 23.96
    methyl formate 66.41
    2-methyl-1-butanol 23.35
    n-decane 4.93
    butyronitrile 60.56
    3,7-dimethyl-1-octanol 15.92
    1-chlorooctane 24.15
    1-chlorotetradecane 7.99
    n-nonane 4.67
    undecane 3.3
    tert-butylcyclohexane 6.46
    cyclooctane 6.97
    cyclopentanol 59.5
    tetrahydropyran 163.35
    tert-amyl methyl ether 47.14
    2,5,8-trioxanonane 96.0
    1-hexene 23.62
    2-isopropoxyethanol 34.96
    2,2,2-trifluoroethanol 41.85
    methyl butyrate 106.49

    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