2-Benzylideneheptyl 3-methylbutanoate

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  • Identifiers

    CAS number
    7493-80-3

    Molecular formula
    C19H28O2

    SMILES
    CCCCCC(=CC1=CC=CC=C1)COC(=O)CC(C)C

  • Odor profile

    Fragrance
    Fruity 83.49%
    Herbal 69.18%
    Floral 68.61%
    Balsamic 48.01%
    Sweet 47.97%
    Jasmin 45.48%
    Spicy 43.32%
    Rose 41.45%
    Oily 40.52%
    Woody 38.66%

     

    Flavor
    Floral 40.2%
    Fruity 38.61%
    Green 38.06%
    Herbal 37.92%
    Waxy 32.0%
    Oily 28.0%
    Jasmin 26.32%
    Balsam 23.34%
    Warm 22.98%
    Sweet 22.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    288.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 163.53 ˚C est.

    Solubility expt.

    • miscible (in ethanol)

  • Synonyms

    • 2-Benzylideneheptyl 3-methylbutanoate
    • 7493-80-3
    • DTXSID00864083
    • DB-253753

  • Applications

    2-Benzylideneheptyl 3-methylbutanoate (CAS 7493-80-3) is used in perfumery as an odorant and fragrance ingredient, providing floral and fruity notes and occasionally acting as a light to moderate fixative in fragrance systems. In cosmetics and personal care, it is employed as a fragrance component in products such as lotions, creams, and bath products. In household products, it may be used as a fragrance additive in cleaners, detergents, and air fresheners. In coatings, inks, and adhesives, it can function as a fragrance additive to impart pleasant odors during curing and aging. In industrial manufacturing, it may be evaluated as an intermediate in the synthesis of other aroma compounds and related fragrance materials, with use governed by local regulations. The exact acceptance and concentrations are formulation dependent and subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2577.78
    methanol 1960.66
    isopropanol 2045.08
    water 0.09
    ethyl acetate 3409.51
    n-propanol 2240.64
    acetone 4834.49
    n-butanol 2129.36
    acetonitrile 2389.69
    DMF 3597.84
    toluene 1456.17
    isobutanol 1862.96
    1,4-dioxane 2799.9
    methyl acetate 2181.15
    THF 3433.55
    2-butanone 3508.66
    n-pentanol 1385.03
    sec-butanol 2112.2
    n-hexane 355.58
    ethylene glycol 105.54
    NMP 2455.43
    cyclohexane 503.37
    DMSO 2694.55
    n-butyl acetate 2068.45
    n-octanol 491.83
    chloroform 6190.19
    n-propyl acetate 1777.44
    acetic acid 1463.93
    dichloromethane 6040.86
    cyclohexanone 4307.95
    propylene glycol 339.62
    isopropyl acetate 2085.5
    DMAc 3001.58
    2-ethoxyethanol 1341.59
    isopentanol 1892.72
    n-heptane 92.81
    ethyl formate 1195.7
    1,2-dichloroethane 5030.52
    n-hexanol 1250.35
    2-methoxyethanol 2047.04
    isobutyl acetate 1138.64
    tetrachloromethane 568.02
    n-pentyl acetate 1131.02
    transcutol 5334.54
    n-heptanol 488.78
    ethylbenzene 723.75
    MIBK 1732.91
    2-propoxyethanol 1660.04
    tert-butanol 1933.43
    MTBE 2780.67
    2-butoxyethanol 952.14
    propionic acid 1166.51
    o-xylene 745.32
    formic acid 226.81
    diethyl ether 3623.79
    m-xylene 829.78
    p-xylene 879.71
    chlorobenzene 2060.26
    dimethyl carbonate 690.01
    n-octane 47.12
    formamide 489.83
    cyclopentanone 3438.05
    2-pentanone 3466.34
    anisole 1296.12
    cyclopentyl methyl ether 2283.4
    gamma-butyrolactone 2718.47
    1-methoxy-2-propanol 1851.85
    pyridine 2887.77
    3-pentanone 2284.3
    furfural 2076.66
    n-dodecane 34.08
    diethylene glycol 764.23
    diisopropyl ether 856.08
    tert-amyl alcohol 1782.47
    acetylacetone 2657.6
    n-hexadecane 41.55
    acetophenone 1173.66
    methyl propionate 2147.91
    isopentyl acetate 1870.84
    trichloroethylene 7372.65
    n-nonanol 427.49
    cyclohexanol 1911.94
    benzyl alcohol 914.14
    2-ethylhexanol 728.63
    isooctanol 456.76
    dipropyl ether 1030.14
    1,2-dichlorobenzene 1702.49
    ethyl lactate 563.39
    propylene carbonate 1676.39
    n-methylformamide 1264.84
    2-pentanol 1661.1
    n-pentane 239.75
    1-propoxy-2-propanol 1293.17
    1-methoxy-2-propyl acetate 1585.32
    2-(2-methoxypropoxy) propanol 861.84
    mesitylene 487.86
    ε-caprolactone 2760.44
    p-cymene 324.21
    epichlorohydrin 4403.58
    1,1,1-trichloroethane 3569.57
    2-aminoethanol 486.16
    morpholine-4-carbaldehyde 2192.45
    sulfolane 2850.34
    2,2,4-trimethylpentane 127.65
    2-methyltetrahydrofuran 3248.26
    n-hexyl acetate 1455.32
    isooctane 95.61
    2-(2-butoxyethoxy)ethanol 1356.26
    sec-butyl acetate 1277.18
    tert-butyl acetate 1825.28
    decalin 208.34
    glycerin 339.62
    diglyme 2327.28
    acrylic acid 754.7
    isopropyl myristate 481.86
    n-butyric acid 2453.23
    acetyl acetate 1468.53
    di(2-ethylhexyl) phthalate 395.16
    ethyl propionate 1478.6
    nitromethane 2628.99
    1,2-diethoxyethane 2052.38
    benzonitrile 1326.27
    trioctyl phosphate 278.09
    1-bromopropane 3124.97
    gamma-valerolactone 3709.88
    n-decanol 295.81
    triethyl phosphate 414.97
    4-methyl-2-pentanol 775.07
    propionitrile 1704.81
    vinylene carbonate 1419.47
    1,1,2-trichlorotrifluoroethane 2135.24
    DMS 1131.67
    cumene 445.61
    2-octanol 382.99
    2-hexanone 1973.83
    octyl acetate 613.96
    limonene 578.75
    1,2-dimethoxyethane 2362.99
    ethyl orthosilicate 421.93
    tributyl phosphate 396.24
    diacetone alcohol 1551.46
    N,N-dimethylaniline 771.54
    acrylonitrile 1619.68
    aniline 1440.79
    1,3-propanediol 945.38
    bromobenzene 2290.87
    dibromomethane 4239.76
    1,1,2,2-tetrachloroethane 6352.01
    2-methyl-cyclohexyl acetate 828.46
    tetrabutyl urea 510.47
    diisobutyl methanol 386.92
    2-phenylethanol 880.1
    styrene 990.39
    dioctyl adipate 640.7
    dimethyl sulfate 913.05
    ethyl butyrate 1194.78
    methyl lactate 670.65
    butyl lactate 794.28
    diethyl carbonate 691.28
    propanediol butyl ether 829.13
    triethyl orthoformate 698.24
    p-tert-butyltoluene 290.02
    methyl 4-tert-butylbenzoate 794.25
    morpholine 3831.21
    tert-butylamine 1259.83
    n-dodecanol 212.12
    dimethoxymethane 2204.31
    ethylene carbonate 1315.38
    cyrene 643.4
    2-ethoxyethyl acetate 1446.36
    2-ethylhexyl acetate 1361.8
    1,2,4-trichlorobenzene 1859.33
    4-methylpyridine 3146.38
    dibutyl ether 1003.97
    2,6-dimethyl-4-heptanol 386.92
    DEF 2953.89
    dimethyl isosorbide 1280.81
    tetrachloroethylene 3319.55
    eugenol 771.03
    triacetin 1113.16
    span 80 742.95
    1,4-butanediol 368.02
    1,1-dichloroethane 4859.53
    2-methyl-1-pentanol 1334.03
    methyl formate 862.62
    2-methyl-1-butanol 1961.85
    n-decane 66.08
    butyronitrile 2199.73
    3,7-dimethyl-1-octanol 580.71
    1-chlorooctane 470.32
    1-chlorotetradecane 147.12
    n-nonane 67.19
    undecane 45.01
    tert-butylcyclohexane 167.73
    cyclooctane 112.07
    cyclopentanol 1318.71
    tetrahydropyran 4133.76
    tert-amyl methyl ether 1759.19
    2,5,8-trioxanonane 1344.53
    1-hexene 1440.97
    2-isopropoxyethanol 1102.8
    2,2,2-trifluoroethanol 360.58
    methyl butyrate 2026.24

    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