Benzeneacetic acid, decyl ester

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  • Identifiers

    CAS number
    848727-32-2

    Molecular formula
    C18H28O2

    SMILES
    CCCCCCCCCCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 73.06%
    Waxy 66.83%
    Rose 64.06%
    Sweet 60.54%
    Fatty 59.6%
    Honey 52.36%
    Oily 51.38%
    Balsamic 44.96%
    Green 40.18%
    Citrus 39.2%

     

    Flavor
    Waxy 74.37%
    Sweet 60.3%
    Fruity 60.18%
    Green 58.48%
    Floral 44.03%
    Oily 43.63%
    Rose 41.9%
    Fatty 36.37%
    Soapy 34.53%
    Creamy 33.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    6.93 (neutral)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 157.68 ˚C est.

  • Synonyms

    • Benzeneacetic acid, decyl ester
    • DTXSID60340035
    • 848727-32-2
    • Decyl phenylacetate #
    • SCHEMBL11580191
    • DTXCID80291116

  • Applications

    Benzeneacetic acid, decyl ester (CAS 848727-32-2) is used primarily as a fragrance ingredient and fixative in perfumery, helping to extend and stabilize scent profiles; it is also employed in cosmetics and personal care products as a fragrance component; in household products and cleaning formulations, it serves as a fragrance additive; in industrial manufacturing it may function as an intermediate in the synthesis of other fragrance esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3137.71
    methanol 3222.42
    isopropanol 2185.26
    water 0.1
    ethyl acetate 3617.35
    n-propanol 2385.71
    acetone 6069.05
    n-butanol 1856.77
    acetonitrile 2972.96
    DMF 4560.33
    toluene 960.72
    isobutanol 1551.77
    1,4-dioxane 3192.23
    methyl acetate 2539.12
    THF 4409.6
    2-butanone 3517.35
    n-pentanol 1117.94
    sec-butanol 1553.32
    n-hexane 179.2
    ethylene glycol 118.22
    NMP 2795.53
    cyclohexane 533.05
    DMSO 5528.41
    n-butyl acetate 2012.48
    n-octanol 303.03
    chloroform 5834.88
    n-propyl acetate 2350.33
    acetic acid 1411.94
    dichloromethane 7408.61
    cyclohexanone 4979.41
    propylene glycol 312.35
    isopropyl acetate 2103.27
    DMAc 3197.9
    2-ethoxyethanol 1433.6
    isopentanol 1419.11
    n-heptane 88.71
    ethyl formate 1574.48
    1,2-dichloroethane 6285.76
    n-hexanol 791.48
    2-methoxyethanol 2238.44
    isobutyl acetate 1222.79
    tetrachloromethane 736.25
    n-pentyl acetate 1197.07
    transcutol 4453.97
    n-heptanol 334.31
    ethylbenzene 508.7
    MIBK 1556.78
    2-propoxyethanol 1333.94
    tert-butanol 1810.22
    MTBE 2419.69
    2-butoxyethanol 811.4
    propionic acid 1385.21
    o-xylene 545.55
    formic acid 262.13
    diethyl ether 3362.91
    m-xylene 531.77
    p-xylene 683.05
    chlorobenzene 1695.91
    dimethyl carbonate 673.26
    n-octane 37.67
    formamide 688.3
    cyclopentanone 4315.43
    2-pentanone 3266.09
    anisole 1094.48
    cyclopentyl methyl ether 2195.88
    gamma-butyrolactone 3717.47
    1-methoxy-2-propanol 1726.37
    pyridine 3313.41
    3-pentanone 2105.22
    furfural 2347.19
    n-dodecane 25.51
    diethylene glycol 643.9
    diisopropyl ether 631.99
    tert-amyl alcohol 1321.57
    acetylacetone 2792.88
    n-hexadecane 31.42
    acetophenone 1091.92
    methyl propionate 2241.07
    isopentyl acetate 1647.9
    trichloroethylene 7352.03
    n-nonanol 273.18
    cyclohexanol 1692.88
    benzyl alcohol 749.6
    2-ethylhexanol 522.92
    isooctanol 319.12
    dipropyl ether 1107.45
    1,2-dichlorobenzene 1513.82
    ethyl lactate 566.13
    propylene carbonate 1924.39
    n-methylformamide 2017.19
    2-pentanol 1109.99
    n-pentane 126.41
    1-propoxy-2-propanol 1090.34
    1-methoxy-2-propyl acetate 1442.97
    2-(2-methoxypropoxy) propanol 641.03
    mesitylene 352.24
    ε-caprolactone 3094.2
    p-cymene 243.15
    epichlorohydrin 4987.14
    1,1,1-trichloroethane 3871.17
    2-aminoethanol 524.92
    morpholine-4-carbaldehyde 2285.85
    sulfolane 4084.83
    2,2,4-trimethylpentane 73.98
    2-methyltetrahydrofuran 3493.32
    n-hexyl acetate 1213.33
    isooctane 53.35
    2-(2-butoxyethoxy)ethanol 968.85
    sec-butyl acetate 1364.04
    tert-butyl acetate 1798.58
    decalin 158.95
    glycerin 320.94
    diglyme 2314.24
    acrylic acid 818.94
    isopropyl myristate 370.79
    n-butyric acid 2639.82
    acetyl acetate 1605.78
    di(2-ethylhexyl) phthalate 294.33
    ethyl propionate 1820.52
    nitromethane 3778.01
    1,2-diethoxyethane 1983.39
    benzonitrile 1173.1
    trioctyl phosphate 209.08
    1-bromopropane 3180.74
    gamma-valerolactone 4605.83
    n-decanol 185.02
    triethyl phosphate 460.12
    4-methyl-2-pentanol 498.41
    propionitrile 2000.72
    vinylene carbonate 1600.61
    1,1,2-trichlorotrifluoroethane 2149.48
    DMS 944.46
    cumene 304.03
    2-octanol 245.5
    2-hexanone 2046.92
    octyl acetate 457.21
    limonene 472.39
    1,2-dimethoxyethane 2962.42
    ethyl orthosilicate 445.12
    tributyl phosphate 326.25
    diacetone alcohol 1404.41
    N,N-dimethylaniline 606.36
    acrylonitrile 1967.96
    aniline 1132.02
    1,3-propanediol 1012.11
    bromobenzene 1867.39
    dibromomethane 4657.76
    1,1,2,2-tetrachloroethane 6291.37
    2-methyl-cyclohexyl acetate 800.78
    tetrabutyl urea 446.41
    diisobutyl methanol 292.25
    2-phenylethanol 612.29
    styrene 752.89
    dioctyl adipate 574.8
    dimethyl sulfate 1041.2
    ethyl butyrate 1434.88
    methyl lactate 638.07
    butyl lactate 728.37
    diethyl carbonate 801.23
    propanediol butyl ether 587.64
    triethyl orthoformate 776.66
    p-tert-butyltoluene 220.25
    methyl 4-tert-butylbenzoate 714.02
    morpholine 4397.7
    tert-butylamine 1031.56
    n-dodecanol 135.31
    dimethoxymethane 2386.02
    ethylene carbonate 1637.39
    cyrene 568.96
    2-ethoxyethyl acetate 1469.29
    2-ethylhexyl acetate 1228.47
    1,2,4-trichlorobenzene 1599.68
    4-methylpyridine 2846.64
    dibutyl ether 923.05
    2,6-dimethyl-4-heptanol 292.25
    DEF 3123.01
    dimethyl isosorbide 1139.74
    tetrachloroethylene 3623.36
    eugenol 609.28
    triacetin 1036.16
    span 80 563.5
    1,4-butanediol 337.43
    1,1-dichloroethane 4930.02
    2-methyl-1-pentanol 863.12
    methyl formate 1153.02
    2-methyl-1-butanol 1343.94
    n-decane 51.91
    butyronitrile 2132.14
    3,7-dimethyl-1-octanol 352.51
    1-chlorooctane 337.71
    1-chlorotetradecane 102.43
    n-nonane 51.35
    undecane 33.72
    tert-butylcyclohexane 114.57
    cyclooctane 89.76
    cyclopentanol 1575.5
    tetrahydropyran 4831.19
    tert-amyl methyl ether 1304.7
    2,5,8-trioxanonane 1235.12
    1-hexene 986.19
    2-isopropoxyethanol 975.15
    2,2,2-trifluoroethanol 416.85
    methyl butyrate 2616.79

    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