Benzoic acid, isodecyl ester

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  • Identifiers

    CAS number
    120657-54-7

    Molecular formula
    C17H26O2

    SMILES
    CC(C)CCCCCCCOC(=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 64.06%
    Floral 60.36%
    Sweet 48.62%
    Herbal 43.83%
    Rose 40.06%
    Waxy 39.18%
    Oily 37.95%
    Fresh 35.77%
    Fruity 35.06%
    Green 32.51%

     

    Flavor
    Balsam 42.86%
    Waxy 42.0%
    Oily 40.05%
    Herbal 38.79%
    Green 34.87%
    Floral 33.53%
    Fruity 33.07%
    Woody 30.78%
    Jasmin 28.97%
    Mild 26.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.15 (neutral)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 150.22 ˚C est.

  • Synonyms

    • 120657-54-7
    • Benzoic acid, isodecyl ester
    • DTXSID00152957
    • RefChem:118508
    • DTXCID5075448
    • Isodecyl benzoate
    • 8-methylnonyl benzoate
    • SCHEMBL21829
    • AKOS025296277
    • 120657-54-7

  • Applications

    Benzoic acid, isodecyl ester (CAS 120657-54-7) is widely used as a plasticizer for PVC and other polymers, providing flexibility in films, coatings, and adhesives. It also functions as a solvent and processing aid in coatings, inks, and varnishes, helping control viscosity and promote film formation. In cosmetics and personal care, it serves as an emollient and solvent, aiding solubilization of fragrance oils and active ingredients and contributing to the texture of lotions and creams. In perfumery and fragrance applications, it acts as a carrier solvent for fragrance materials and can serve as a fixative to dissolve and stabilize aromatic compounds. It may also be used as a processing solvent in various industrial formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7539.17
    methanol 5646.15
    isopropanol 5613.34
    water 0.08
    ethyl acetate 7918.21
    n-propanol 6069.33
    acetone 10445.51
    n-butanol 4810.72
    acetonitrile 6173.41
    DMF 6069.08
    toluene 2103.21
    isobutanol 3802.49
    1,4-dioxane 5143.61
    methyl acetate 4765.97
    THF 6651.2
    2-butanone 7452.64
    n-pentanol 2540.24
    sec-butanol 4218.5
    n-hexane 418.37
    ethylene glycol 145.58
    NMP 3216.4
    cyclohexane 893.23
    DMSO 4625.05
    n-butyl acetate 4067.82
    n-octanol 679.08
    chloroform 9050.65
    n-propyl acetate 4105.45
    acetic acid 2095.77
    dichloromethane 10760.12
    cyclohexanone 8309.81
    propylene glycol 475.79
    isopropyl acetate 3979.68
    DMAc 3754.17
    2-ethoxyethanol 2565.68
    isopentanol 3353.32
    n-heptane 142.81
    ethyl formate 2912.54
    1,2-dichloroethane 9139.1
    n-hexanol 1951.53
    2-methoxyethanol 4207.23
    isobutyl acetate 2072.3
    tetrachloromethane 1017.33
    n-pentyl acetate 2047.44
    transcutol 6915.9
    n-heptanol 694.49
    ethylbenzene 943.64
    MIBK 2786.68
    2-propoxyethanol 2773.55
    tert-butanol 4044.16
    MTBE 5783.67
    2-butoxyethanol 1454.15
    propionic acid 2225.04
    o-xylene 979.84
    formic acid 317.31
    diethyl ether 7722.73
    m-xylene 1072.97
    p-xylene 1165.77
    chlorobenzene 3022.87
    dimethyl carbonate 855.21
    n-octane 67.44
    formamide 891.57
    cyclopentanone 6235.31
    2-pentanone 7063.87
    anisole 1896.05
    cyclopentyl methyl ether 3771.58
    gamma-butyrolactone 5259.17
    1-methoxy-2-propanol 3303.16
    pyridine 5443.67
    3-pentanone 3715.71
    furfural 3212.01
    n-dodecane 44.32
    diethylene glycol 1004.67
    diisopropyl ether 1377.57
    tert-amyl alcohol 3097.69
    acetylacetone 4135.28
    n-hexadecane 54.84
    acetophenone 1658.47
    methyl propionate 4025.03
    isopentyl acetate 3249.2
    trichloroethylene 11535.67
    n-nonanol 566.5
    cyclohexanol 3304.92
    benzyl alcohol 1246.2
    2-ethylhexanol 1084.24
    isooctanol 650.39
    dipropyl ether 1869.07
    1,2-dichlorobenzene 2272.93
    ethyl lactate 819.66
    propylene carbonate 2728.71
    n-methylformamide 3026.54
    2-pentanol 3083.89
    n-pentane 343.52
    1-propoxy-2-propanol 2163.18
    1-methoxy-2-propyl acetate 2367.93
    2-(2-methoxypropoxy) propanol 960.95
    mesitylene 609.09
    ε-caprolactone 5342.19
    p-cymene 404.89
    epichlorohydrin 7812.43
    1,1,1-trichloroethane 6354.94
    2-aminoethanol 897.69
    morpholine-4-carbaldehyde 3018.92
    sulfolane 4450.51
    2,2,4-trimethylpentane 155.03
    2-methyltetrahydrofuran 6517.86
    n-hexyl acetate 2153.85
    isooctane 121.44
    2-(2-butoxyethoxy)ethanol 1614.03
    sec-butyl acetate 2487.19
    tert-butyl acetate 3085.46
    decalin 248.21
    glycerin 386.62
    diglyme 3427.89
    acrylic acid 1157.13
    isopropyl myristate 606.38
    n-butyric acid 4950.65
    acetyl acetate 2404.52
    di(2-ethylhexyl) phthalate 419.05
    ethyl propionate 3080.73
    nitromethane 4986.74
    1,2-diethoxyethane 3594.17
    benzonitrile 2178.22
    trioctyl phosphate 311.81
    1-bromopropane 6118.39
    gamma-valerolactone 6886.6
    n-decanol 372.5
    triethyl phosphate 570.27
    4-methyl-2-pentanol 1161.53
    propionitrile 4746.84
    vinylene carbonate 2220.5
    1,1,2-trichlorotrifluoroethane 2725.77
    DMS 1256.36
    cumene 512.37
    2-octanol 550.95
    2-hexanone 3905.57
    octyl acetate 753.9
    limonene 749.72
    1,2-dimethoxyethane 4789.14
    ethyl orthosilicate 575.47
    tributyl phosphate 461.1
    diacetone alcohol 2222.65
    N,N-dimethylaniline 910.5
    acrylonitrile 3877.85
    aniline 2156.81
    1,3-propanediol 1704.34
    bromobenzene 3338.35
    dibromomethane 7064.35
    1,1,2,2-tetrachloroethane 9017.38
    2-methyl-cyclohexyl acetate 1189.06
    tetrabutyl urea 598.65
    diisobutyl methanol 547.57
    2-phenylethanol 1106.64
    styrene 1393.82
    dioctyl adipate 777.27
    dimethyl sulfate 1100.91
    ethyl butyrate 2319.88
    methyl lactate 938.12
    butyl lactate 1111.24
    diethyl carbonate 1167.49
    propanediol butyl ether 1002.85
    triethyl orthoformate 1143.52
    p-tert-butyltoluene 365.8
    methyl 4-tert-butylbenzoate 964.24
    morpholine 7759.68
    tert-butylamine 2429.74
    n-dodecanol 259.25
    dimethoxymethane 3796.91
    ethylene carbonate 2244.12
    cyrene 754.6
    2-ethoxyethyl acetate 2267.02
    2-ethylhexyl acetate 2216.73
    1,2,4-trichlorobenzene 2343.99
    4-methylpyridine 5552.61
    dibutyl ether 1675.91
    2,6-dimethyl-4-heptanol 547.57
    DEF 5561.18
    dimethyl isosorbide 1518.35
    tetrachloroethylene 4800.22
    eugenol 909.85
    triacetin 1325.88
    span 80 838.44
    1,4-butanediol 582.1
    1,1-dichloroethane 9613.22
    2-methyl-1-pentanol 1986.19
    methyl formate 1673.0
    2-methyl-1-butanol 3314.85
    n-decane 90.39
    butyronitrile 5659.46
    3,7-dimethyl-1-octanol 771.09
    1-chlorooctane 647.65
    1-chlorotetradecane 176.07
    n-nonane 92.77
    undecane 59.82
    tert-butylcyclohexane 204.21
    cyclooctane 164.49
    cyclopentanol 2633.38
    tetrahydropyran 9005.05
    tert-amyl methyl ether 2885.71
    2,5,8-trioxanonane 1722.26
    1-hexene 2272.79
    2-isopropoxyethanol 1753.06
    2,2,2-trifluoroethanol 478.62
    methyl butyrate 4711.18

    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