Benzyl octanoate

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  • Identifiers

    CAS number
    10276-85-4

    Molecular formula
    C15H22O2

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

    Retention indicies (RI)

    • Carbowax: 2260.0

  • Odor profile

    Fruity 73.29%
    Floral 62.52%
    Sweet 59.16%
    Oily 55.13%
    Fatty 54.44%
    Herbal 53.86%
    Winey 52.99%
    Waxy 51.96%
    Green 50.58%
    Balsamic 43.22%

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  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    141.67 ˚C

  • Synonyms

    • Benzyl octanoate
    • 10276-85-4
    • Benzyl caprylate
    • Octanoic acid, phenylmethyl ester
    • Octanoic acid, benzyl ester
    • Benzyl n-octanoate
    • EINECS 233-620-7
    • AI3-30977
    • DTXSID30145493
    • NSC 23754
    • MFCD00048914
    • octanoic acid benzyl ester
    • SCHEMBL872955
    • DTXCID9067984
    • KAA27685
    • NSC23754
    • NSC-23754
    • B6116
    • NS00012010
    • D95233
    • Q63409798
    • 233-620-7

  • Applications

    Benzyl octanoate (CAS 10276-85-4) is used mainly as a fragrance ingredient with a fruity–floral, sweet, slightly waxy odor and fixative character, extending and rounding notes in fine fragrances, air care, candles, soaps and detergents; in foods and beverages it can be used at very low levels as a flavoring agent to reinforce tropical/creamy fruity nuances in confectionery, baked goods and drinks; in personal care it serves as a perfume component, emollient/skin-conditioning aid and hydrophobic fragrance carrier for creams, shampoos and body washes; it is also used as a slow-evaporating solvent carrier, aroma modifier in industrial bases, and as a reference/analytical standard for R&D and formulation work.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4583.98
    methanol 6286.33
    isopropanol 2290.85
    water 0.14
    ethyl acetate 6334.52
    n-propanol 3080.86
    acetone 7656.76
    n-butanol 2312.25
    acetonitrile 6021.85
    DMF 5705.01
    toluene 1407.68
    isobutanol 1811.11
    1,4-dioxane 3890.37
    methyl acetate 3725.52
    THF 3516.04
    2-butanone 4645.83
    n-pentanol 1423.99
    sec-butanol 1785.76
    n-hexane 163.87
    ethylene glycol 231.51
    NMP 2517.26
    cyclohexane 291.25
    DMSO 6718.66
    n-butyl acetate 2897.88
    n-octanol 354.09
    chloroform 7102.11
    n-propyl acetate 3021.7
    acetic acid 2255.21
    dichloromethane 9505.69
    cyclohexanone 4770.67
    propylene glycol 451.81
    isopropyl acetate 2854.29
    DMAc 3620.67
    2-ethoxyethanol 1979.85
    isopentanol 1759.97
    n-heptane 61.98
    ethyl formate 2210.81
    1,2-dichloroethane 7652.07
    n-hexanol 1125.09
    2-methoxyethanol 3316.3
    isobutyl acetate 1446.47
    tetrachloromethane 581.08
    n-pentyl acetate 1239.52
    transcutol 7301.47
    n-heptanol 385.56
    ethylbenzene 678.66
    MIBK 1755.51
    2-propoxyethanol 1902.41
    tert-butanol 2094.72
    MTBE 2958.39
    2-butoxyethanol 929.02
    propionic acid 1813.26
    o-xylene 663.07
    formic acid 529.42
    diethyl ether 4464.98
    m-xylene 719.47
    p-xylene 806.41
    chlorobenzene 2148.76
    dimethyl carbonate 913.61
    n-octane 27.76
    formamide 1409.49
    cyclopentanone 4012.96
    2-pentanone 4101.58
    anisole 1561.46
    cyclopentyl methyl ether 2113.14
    gamma-butyrolactone 4036.35
    1-methoxy-2-propanol 2238.76
    pyridine 4521.95
    3-pentanone 2541.54
    furfural 2841.41
    n-dodecane 23.27
    diethylene glycol 1018.64
    diisopropyl ether 737.68
    tert-amyl alcohol 1598.81
    acetylacetone 3533.71
    n-hexadecane 28.6
    acetophenone 1416.53
    methyl propionate 3234.52
    isopentyl acetate 2204.29
    trichloroethylene 10159.64
    n-nonanol 308.3
    cyclohexanol 1559.89
    benzyl alcohol 1032.1
    2-ethylhexanol 674.96
    isooctanol 341.14
    dipropyl ether 1122.34
    1,2-dichlorobenzene 1786.31
    ethyl lactate 629.57
    propylene carbonate 2119.85
    n-methylformamide 2929.3
    2-pentanol 1355.79
    n-pentane 102.21
    1-propoxy-2-propanol 1346.93
    1-methoxy-2-propyl acetate 1913.8
    2-(2-methoxypropoxy) propanol 841.01
    mesitylene 390.73
    ε-caprolactone 3404.3
    p-cymene 275.19
    epichlorohydrin 5785.0
    1,1,1-trichloroethane 4221.86
    2-aminoethanol 847.36
    morpholine-4-carbaldehyde 2585.53
    sulfolane 3816.53
    2,2,4-trimethylpentane 66.65
    2-methyltetrahydrofuran 3095.04
    n-hexyl acetate 1344.12
    isooctane 54.57
    2-(2-butoxyethoxy)ethanol 1346.02
    sec-butyl acetate 1680.61
    tert-butyl acetate 2057.59
    decalin 136.46
    glycerin 475.18
    diglyme 2899.97
    acrylic acid 1172.37
    isopropyl myristate 407.95
    n-butyric acid 3488.97
    acetyl acetate 2299.55
    di(2-ethylhexyl) phthalate 329.74
    ethyl propionate 2323.82
    nitromethane 5945.43
    1,2-diethoxyethane 2917.69
    benzonitrile 1725.53
    trioctyl phosphate 221.58
    1-bromopropane 3531.64
    gamma-valerolactone 4490.44
    n-decanol 211.84
    triethyl phosphate 479.76
    4-methyl-2-pentanol 590.57
    propionitrile 3139.99
    vinylene carbonate 1883.74
    1,1,2-trichlorotrifluoroethane 2467.66
    DMS 1227.96
    cumene 361.11
    2-octanol 273.4
    2-hexanone 2497.95
    octyl acetate 495.3
    limonene 463.49
    1,2-dimethoxyethane 3612.24
    ethyl orthosilicate 453.98
    tributyl phosphate 358.54
    diacetone alcohol 1541.65
    N,N-dimethylaniline 755.44
    acrylonitrile 3475.91
    aniline 1553.26
    1,3-propanediol 1376.08
    bromobenzene 2425.08
    dibromomethane 5636.45
    1,1,2,2-tetrachloroethane 7536.99
    2-methyl-cyclohexyl acetate 840.64
    tetrabutyl urea 463.75
    diisobutyl methanol 344.17
    2-phenylethanol 852.34
    styrene 1140.3
    dioctyl adipate 600.24
    dimethyl sulfate 1216.26
    ethyl butyrate 1741.83
    methyl lactate 803.38
    butyl lactate 773.27
    diethyl carbonate 976.14
    propanediol butyl ether 737.69
    triethyl orthoformate 825.85
    p-tert-butyltoluene 245.96
    methyl 4-tert-butylbenzoate 729.58
    morpholine 5274.91
    tert-butylamine 1164.71
    n-dodecanol 151.79
    dimethoxymethane 3222.89
    ethylene carbonate 1781.78
    cyrene 624.3
    2-ethoxyethyl acetate 1746.6
    2-ethylhexyl acetate 1548.59
    1,2,4-trichlorobenzene 1904.16
    4-methylpyridine 4221.31
    dibutyl ether 1014.11
    2,6-dimethyl-4-heptanol 344.17
    DEF 4174.9
    dimethyl isosorbide 1329.49
    tetrachloroethylene 4171.8
    eugenol 743.38
    triacetin 1141.21
    span 80 653.31
    1,4-butanediol 484.38
    1,1-dichloroethane 6058.06
    2-methyl-1-pentanol 1190.81
    methyl formate 1697.65
    2-methyl-1-butanol 1641.97
    n-decane 42.96
    butyronitrile 3255.89
    3,7-dimethyl-1-octanol 436.33
    1-chlorooctane 334.81
    1-chlorotetradecane 103.4
    n-nonane 41.28
    undecane 29.98
    tert-butylcyclohexane 111.94
    cyclooctane 59.2
    cyclopentanol 1226.61
    tetrahydropyran 4876.32
    tert-amyl methyl ether 1544.85
    2,5,8-trioxanonane 1622.88
    1-hexene 1131.1
    2-isopropoxyethanol 1361.17
    2,2,2-trifluoroethanol 536.79
    methyl butyrate 3498.33

    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

Botanical

Name CAS Botanical Proportion
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.03%