Benzeneacetic acid, 1-methylheptyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    92883-25-5

    Molecular formula
    C16H24O2

    SMILES
    CCCCCCC(C)OC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 76.27%
    Rose 57.1%
    Green 57.07%
    Waxy 51.95%
    Sweet 51.82%
    Honey 51.68%
    Herbal 46.48%
    Fatty 43.44%
    Oily 38.63%
    Fruity 37.15%

     

    Flavor
    Green 71.45%
    Sweet 58.77%
    Waxy 58.46%
    Floral 51.67%
    Fruity 46.92%
    Rose 42.37%
    Oily 38.33%
    Tropical 35.23%
    Honey 35.09%
    Fresh 34.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.54 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 138.75 ˚C est.

  • Synonyms

    • Benzeneacetic acid, 1-methylheptyl ester
    • 92883-25-5
    • DTXSID60340050
    • 1-Methylheptyl phenylacetate #
    • SCHEMBL23016150
    • DTXCID80291131
    • Benzeneacetic acid, 2-octyl ester

  • Applications

    Benzeneacetic acid, 1-methylheptyl ester (CAS 92883-25-5) is primarily used in fragrance and cosmetics as an aroma ingredient and fixative, delivering warm, woody and fruity notes that help extend fragrance longevity in perfumery. It is commonly employed in cosmetic formulations and personal care products such as perfumes, scented lotions, and bath products, typically at low concentrations. In household products like air fresheners, detergents, and cleaners, it can serve as a fragrance component to impart pleasant odor profiles. It is also used as an intermediate in the synthesis of related aroma chemicals and fragrance blends. In industrial manufacturing, it may be used as a specialty fragrance chemical under formulation controls and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4171.38
    methanol 5213.25
    isopropanol 2458.7
    water 0.29
    ethyl acetate 2905.1
    n-propanol 2870.91
    acetone 5312.42
    n-butanol 2366.87
    acetonitrile 3170.14
    DMF 4734.14
    toluene 1021.85
    isobutanol 1898.9
    1,4-dioxane 3508.2
    methyl acetate 2038.36
    THF 4058.0
    2-butanone 2923.54
    n-pentanol 1452.74
    sec-butanol 1841.73
    n-hexane 259.92
    ethylene glycol 286.67
    NMP 2979.83
    cyclohexane 442.3
    DMSO 5037.07
    n-butyl acetate 1821.43
    n-octanol 333.88
    chloroform 6061.62
    n-propyl acetate 1533.83
    acetic acid 1912.37
    dichloromethane 6411.9
    cyclohexanone 4162.51
    propylene glycol 546.24
    isopropyl acetate 1676.46
    DMAc 3055.3
    2-ethoxyethanol 1496.24
    isopentanol 1739.99
    n-heptane 76.14
    ethyl formate 1350.96
    1,2-dichloroethane 5286.37
    n-hexanol 1224.66
    2-methoxyethanol 2682.28
    isobutyl acetate 897.01
    tetrachloromethane 564.99
    n-pentyl acetate 808.08
    transcutol 4971.76
    n-heptanol 358.29
    ethylbenzene 467.56
    MIBK 1270.8
    2-propoxyethanol 1728.44
    tert-butanol 1964.48
    MTBE 2179.01
    2-butoxyethanol 759.4
    propionic acid 1521.64
    o-xylene 484.34
    formic acid 471.58
    diethyl ether 3319.88
    m-xylene 528.09
    p-xylene 594.18
    chlorobenzene 1692.14
    dimethyl carbonate 639.35
    n-octane 29.53
    formamide 916.24
    cyclopentanone 3493.07
    2-pentanone 2677.58
    anisole 1039.91
    cyclopentyl methyl ether 2083.19
    gamma-butyrolactone 3159.18
    1-methoxy-2-propanol 1897.7
    pyridine 3130.27
    3-pentanone 1739.91
    furfural 2189.82
    n-dodecane 23.44
    diethylene glycol 985.68
    diisopropyl ether 598.83
    tert-amyl alcohol 1432.4
    acetylacetone 2224.85
    n-hexadecane 29.12
    acetophenone 897.21
    methyl propionate 1907.94
    isopentyl acetate 1476.91
    trichloroethylene 6488.7
    n-nonanol 293.51
    cyclohexanol 1892.63
    benzyl alcohol 808.15
    2-ethylhexanol 628.26
    isooctanol 300.46
    dipropyl ether 978.02
    1,2-dichlorobenzene 1368.85
    ethyl lactate 462.44
    propylene carbonate 1669.46
    n-methylformamide 2059.87
    2-pentanol 1283.17
    n-pentane 160.39
    1-propoxy-2-propanol 1171.63
    1-methoxy-2-propyl acetate 1293.05
    2-(2-methoxypropoxy) propanol 701.39
    mesitylene 326.9
    ε-caprolactone 2716.36
    p-cymene 222.02
    epichlorohydrin 4365.16
    1,1,1-trichloroethane 3060.78
    2-aminoethanol 927.17
    morpholine-4-carbaldehyde 2403.75
    sulfolane 3479.72
    2,2,4-trimethylpentane 74.7
    2-methyltetrahydrofuran 3213.54
    n-hexyl acetate 1057.02
    isooctane 58.77
    2-(2-butoxyethoxy)ethanol 1082.43
    sec-butyl acetate 947.11
    tert-butyl acetate 1424.38
    decalin 158.95
    glycerin 553.76
    diglyme 2110.96
    acrylic acid 1027.14
    isopropyl myristate 337.64
    n-butyric acid 2564.59
    acetyl acetate 1329.33
    di(2-ethylhexyl) phthalate 315.86
    ethyl propionate 1229.78
    nitromethane 3497.38
    1,2-diethoxyethane 1809.61
    benzonitrile 1125.43
    trioctyl phosphate 213.8
    1-bromopropane 2798.03
    gamma-valerolactone 3911.8
    n-decanol 204.03
    triethyl phosphate 354.5
    4-methyl-2-pentanol 546.4
    propionitrile 1920.69
    vinylene carbonate 1452.08
    1,1,2-trichlorotrifluoroethane 2079.16
    DMS 869.58
    cumene 289.85
    2-octanol 241.34
    2-hexanone 1727.24
    octyl acetate 433.03
    limonene 419.22
    1,2-dimethoxyethane 2739.65
    ethyl orthosilicate 348.2
    tributyl phosphate 327.28
    diacetone alcohol 1226.21
    N,N-dimethylaniline 589.12
    acrylonitrile 1934.2
    aniline 1368.22
    1,3-propanediol 1384.27
    bromobenzene 1830.14
    dibromomethane 4196.98
    1,1,2,2-tetrachloroethane 5597.61
    2-methyl-cyclohexyl acetate 679.94
    tetrabutyl urea 418.52
    diisobutyl methanol 292.85
    2-phenylethanol 751.73
    styrene 716.19
    dioctyl adipate 519.65
    dimethyl sulfate 935.33
    ethyl butyrate 1021.1
    methyl lactate 620.96
    butyl lactate 587.51
    diethyl carbonate 602.57
    propanediol butyl ether 647.39
    triethyl orthoformate 597.05
    p-tert-butyltoluene 206.19
    methyl 4-tert-butylbenzoate 594.36
    morpholine 4879.03
    tert-butylamine 1201.48
    n-dodecanol 151.63
    dimethoxymethane 2333.14
    ethylene carbonate 1423.14
    cyrene 581.49
    2-ethoxyethyl acetate 1103.98
    2-ethylhexyl acetate 1066.37
    1,2,4-trichlorobenzene 1475.48
    4-methylpyridine 2779.72
    dibutyl ether 784.34
    2,6-dimethyl-4-heptanol 292.85
    DEF 2718.21
    dimethyl isosorbide 1143.82
    tetrachloroethylene 3251.28
    eugenol 575.75
    triacetin 863.73
    span 80 598.67
    1,4-butanediol 505.5
    1,1-dichloroethane 4225.36
    2-methyl-1-pentanol 1118.46
    methyl formate 1174.67
    2-methyl-1-butanol 1608.59
    n-decane 44.06
    butyronitrile 2221.41
    3,7-dimethyl-1-octanol 379.41
    1-chlorooctane 301.97
    1-chlorotetradecane 102.05
    n-nonane 42.69
    undecane 30.58
    tert-butylcyclohexane 123.03
    cyclooctane 83.14
    cyclopentanol 1642.9
    tetrahydropyran 4693.76
    tert-amyl methyl ether 1242.11
    2,5,8-trioxanonane 1275.08
    1-hexene 1235.32
    2-isopropoxyethanol 992.06
    2,2,2-trifluoroethanol 479.57
    methyl butyrate 1796.72

    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