Benzyl caprate

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  • Identifiers

    CAS number
    42175-41-7

    Molecular formula
    C17H26O2

    SMILES
    CCCCCCCCCC(=O)OCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fatty 66.51%
    Waxy 61.93%
    Oily 61.15%
    Floral 58.92%
    Sweet 51.54%
    Fruity 46.98%
    Winey 43.7%
    Balsamic 41.7%
    Rose 40.85%
    Herbal 39.38%

     

    Flavor
    Fruity 70.62%
    Waxy 68.6%
    Oily 49.6%
    Sweet 49.33%
    Green 48.47%
    Wine 38.38%
    Floral 38.07%
    Creamy 36.55%
    Balsam 35.77%
    Fatty 35.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.08 (neutral)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 153.31 ˚C est.

  • Synonyms

    • Benzyl decanoate
    • benzyl caprate
    • 42175-41-7
    • Decanoic acid, phenylmethyl ester
    • KN1422OA5J
    • EINECS 255-696-0
    • DTXSID20194995
    • benzyldecanoate
    • Benzyl decanoate #
    • starbld0032588
    • UNII-KN1422OA5J
    • AO-548/40001934
    • SCHEMBL6834887
    • DTXCID60117486
    • AKOS040750779
    • NS00022176
    • Q27894843
    • 255-696-0

  • Applications

    Benzyl caprate (CAS 42175-41-7) is the benzyl ester of caproic acid and is primarily used as a fragrance ingredient and solvent in cosmetic and fragrance formulations; it often serves as a fragrance fixative and as a carrier solvent in perfumery, and is also used as a solvent and fragrance component in consumer personal care and household products; it may be evaluated for industrial formulation use as a fragrance solvent or carrier for aroma compounds, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4201.34
    methanol 4741.93
    isopropanol 2505.67
    water 0.11
    ethyl acetate 6196.05
    n-propanol 2997.28
    acetone 7763.23
    n-butanol 2310.13
    acetonitrile 5083.44
    DMF 5268.88
    toluene 1374.2
    isobutanol 1829.34
    1,4-dioxane 3937.38
    methyl acetate 3759.43
    THF 4301.12
    2-butanone 4776.37
    n-pentanol 1440.71
    sec-butanol 1913.26
    n-hexane 191.81
    ethylene glycol 141.31
    NMP 2712.21
    cyclohexane 464.4
    DMSO 6192.8
    n-butyl acetate 3029.45
    n-octanol 373.2
    chloroform 7177.37
    n-propyl acetate 3466.78
    acetic acid 1919.21
    dichloromethane 9923.33
    cyclohexanone 5761.15
    propylene glycol 333.08
    isopropyl acetate 3118.31
    DMAc 3761.96
    2-ethoxyethanol 1951.66
    isopentanol 1837.13
    n-heptane 86.66
    ethyl formate 2326.91
    1,2-dichloroethane 7842.15
    n-hexanol 1019.06
    2-methoxyethanol 3003.42
    isobutyl acetate 1724.58
    tetrachloromethane 775.38
    n-pentyl acetate 1572.31
    transcutol 6604.75
    n-heptanol 424.04
    ethylbenzene 697.98
    MIBK 2016.81
    2-propoxyethanol 1746.19
    tert-butanol 2191.9
    MTBE 3383.7
    2-butoxyethanol 1021.49
    propionic acid 1727.17
    o-xylene 707.59
    formic acid 372.16
    diethyl ether 4788.62
    m-xylene 723.95
    p-xylene 873.62
    chlorobenzene 2133.5
    dimethyl carbonate 857.4
    n-octane 38.64
    formamide 1057.38
    cyclopentanone 4584.23
    2-pentanone 4491.22
    anisole 1539.14
    cyclopentyl methyl ether 2454.3
    gamma-butyrolactone 4286.51
    1-methoxy-2-propanol 2211.47
    pyridine 4374.81
    3-pentanone 2724.27
    furfural 2920.61
    n-dodecane 27.04
    diethylene glycol 816.81
    diisopropyl ether 858.53
    tert-amyl alcohol 1668.76
    acetylacetone 3688.59
    n-hexadecane 33.71
    acetophenone 1483.38
    methyl propionate 3198.85
    isopentyl acetate 2393.06
    trichloroethylene 9719.41
    n-nonanol 333.12
    cyclohexanol 1794.87
    benzyl alcohol 986.84
    2-ethylhexanol 674.41
    isooctanol 384.77
    dipropyl ether 1380.26
    1,2-dichlorobenzene 1879.87
    ethyl lactate 697.24
    propylene carbonate 2323.62
    n-methylformamide 2704.32
    2-pentanol 1444.44
    n-pentane 129.75
    1-propoxy-2-propanol 1375.55
    1-methoxy-2-propyl acetate 2008.59
    2-(2-methoxypropoxy) propanol 818.89
    mesitylene 426.67
    ε-caprolactone 3867.73
    p-cymene 300.94
    epichlorohydrin 6133.83
    1,1,1-trichloroethane 4742.26
    2-aminoethanol 636.16
    morpholine-4-carbaldehyde 2650.66
    sulfolane 4128.32
    2,2,4-trimethylpentane 83.4
    2-methyltetrahydrofuran 3864.5
    n-hexyl acetate 1559.51
    isooctane 61.83
    2-(2-butoxyethoxy)ethanol 1284.61
    sec-butyl acetate 2009.12
    tert-butyl acetate 2355.61
    decalin 163.35
    glycerin 349.11
    diglyme 3058.82
    acrylic acid 1019.83
    isopropyl myristate 457.94
    n-butyric acid 3550.92
    acetyl acetate 2394.5
    di(2-ethylhexyl) phthalate 344.71
    ethyl propionate 2736.99
    nitromethane 5490.02
    1,2-diethoxyethane 3005.22
    benzonitrile 1641.06
    trioctyl phosphate 239.44
    1-bromopropane 4015.9
    gamma-valerolactone 5295.36
    n-decanol 220.85
    triethyl phosphate 553.52
    4-methyl-2-pentanol 645.25
    propionitrile 2978.06
    vinylene carbonate 1994.69
    1,1,2-trichlorotrifluoroethane 2489.95
    DMS 1223.27
    cumene 381.02
    2-octanol 313.23
    2-hexanone 2803.22
    octyl acetate 554.39
    limonene 540.09
    1,2-dimethoxyethane 4036.25
    ethyl orthosilicate 546.77
    tributyl phosphate 388.57
    diacetone alcohol 1719.86
    N,N-dimethylaniline 773.9
    acrylonitrile 2972.19
    aniline 1459.72
    1,3-propanediol 1212.96
    bromobenzene 2439.16
    dibromomethane 5932.39
    1,1,2,2-tetrachloroethane 7492.24
    2-methyl-cyclohexyl acetate 980.89
    tetrabutyl urea 509.84
    diisobutyl methanol 373.28
    2-phenylethanol 800.37
    styrene 1102.52
    dioctyl adipate 673.7
    dimethyl sulfate 1214.24
    ethyl butyrate 2046.7
    methyl lactate 774.52
    butyl lactate 912.83
    diethyl carbonate 1081.41
    propanediol butyl ether 710.73
    triethyl orthoformate 1004.36
    p-tert-butyltoluene 270.48
    methyl 4-tert-butylbenzoate 841.01
    morpholine 5602.17
    tert-butylamine 1217.3
    n-dodecanol 156.7
    dimethoxymethane 3172.2
    ethylene carbonate 2010.85
    cyrene 646.52
    2-ethoxyethyl acetate 2017.74
    2-ethylhexyl acetate 1689.51
    1,2,4-trichlorobenzene 1964.79
    4-methylpyridine 3979.51
    dibutyl ether 1213.34
    2,6-dimethyl-4-heptanol 373.28
    DEF 4335.78
    dimethyl isosorbide 1362.75
    tetrachloroethylene 4359.37
    eugenol 764.96
    triacetin 1290.93
    span 80 667.93
    1,4-butanediol 418.94
    1,1-dichloroethane 6424.3
    2-methyl-1-pentanol 1152.46
    methyl formate 1520.65
    2-methyl-1-butanol 1663.44
    n-decane 54.39
    butyronitrile 3320.87
    3,7-dimethyl-1-octanol 449.77
    1-chlorooctane 399.14
    1-chlorotetradecane 113.82
    n-nonane 54.37
    undecane 35.78
    tert-butylcyclohexane 130.59
    cyclooctane 85.36
    cyclopentanol 1471.66
    tetrahydropyran 5779.31
    tert-amyl methyl ether 1761.0
    2,5,8-trioxanonane 1616.23
    1-hexene 1226.74
    2-isopropoxyethanol 1358.63
    2,2,2-trifluoroethanol 512.76
    methyl butyrate 4026.75

    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