Isoamyl Cinnamate

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  • Identifiers

    CAS number
    7779-65-9

    Molecular formula
    C14H18O2

    SMILES
    CC(C)CCOC(=O)/C=C/C1=CC=CC=C1

  • Odor profile

    Fragrance
    Balsamic 84.65%
    Sweet 83.45%
    Fruity 82.63%
    Floral 58.17%
    Spicy 47.64%
    Cocoa 46.95%
    Honey 45.85%
    Rose 42.5%
    Cinnamon 42.02%
    Herbal 39.54%

     

    Flavor
    Floral 53.87%
    Balsam 41.81%
    Sweet 38.16%
    Green 32.43%
    Honey 32.36%
    Fruity 31.94%
    Cocoa 31.03%
    Chocolate 30.71%
    Rose 29.06%
    Amber 27.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.89 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 137.33 ˚C est.
    • greater than 212 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Isopentyl cinnamate
    • Isoamyl cinnamate
    • 7779-65-9
    • Isopentyl 3-phenylacrylate
    • Isopentyl alcohol, cinnamate
    • Cinnamic acid, isopentyl ester
    • FEMA No. 2063
    • Isoamyl beta-phenylacrylate
    • Isoamyl 3-phenyl propenoate
    • Isoamyl cinnamate (natural)
    • Isopentyl 3-phenylpropenoate
    • Isopentyl beta-phenylacrylate
    • 3-methylbutyl (E)-3-phenylprop-2-enoate
    • 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester
    • EINECS 231-931-2
    • 3-Methylbutyl 3-phenyl-2-propenoate
    • AB60R20S7J
    • AMYL CINNAMATE [FCC]
    • 3-methylbutyl (2E)-3-phenylprop-2-enoate
    • DTXCID405454
    • DTXSID4025454
    • ISOAMYL CINNAMATE [FHFI]
    • ISOAMYL 3-PHENYL PROPENATE
    • 85180-66-1
    • UNII-AB60R20S7J
    • 3-methylbutyl (2E)-3-phenylacrylate
    • i-amyl cinnamate
    • Cinnamic acid, isopentyl ester (8CI)
    • iso-Amyl Cinnamate
    • 3-Phenyl-acrylic acid, 3-methyl-butyl ester
    • 3-Phenyl-2-propenoic acid 3-methylbutyl ester
    • Isoamyl cinnamate, >=97%
    • SCHEMBL81835
    • CHEMBL1900511
    • ISOAMYL CINNAMATE [INCI]
    • 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-
    • CHEBI:191650
    • Isoamyl cinnamate, >=97%, FG
    • Tox21_200007
    • STL453607
    • isopentyl (E)-3-phenylprop-2-enoate
    • AKOS015914230
    • FI30862
    • NCGC00091309-01
    • NCGC00091309-02
    • NCGC00257561-01
    • AS-57217
    • Isoamyl cinnamate, natural, >=97%, FG
    • CAS-7779-65-9
    • Isopentyl (2E)-3-phenyl-2-propenoate #
    • CS-0455650
    • NS00012654
    • Q27273837
    • 231-931-2

  • Applications

    Isoamyl cinnamate, CAS number 7779-65-9, is a fragrant ester naturally occurring in certain flowers and fruits, emitting a sweet warm cinnamon-fruity note that makes it a valued aroma component in fine fragrances, soaps, shampoos, deodorants and scented candles; in the flavor industry it is incorporated into candies, beverages, chewing gum and bakery flavors to recreate banana, apricot and mild cinnamon nuances; in skin-care formulations the cinnamate scaffold contributes UV-B absorption, so the molecule is blended with other filters to boost sun protection while its phenyl core offers antioxidant benefits that improve product stability; in agriculture the attractive scent of isoamyl cinnamate is occasionally used in lures for monitoring or controlling fruit-tree pests; chemically the compound is reasonably stable, low-irritant, readily biodegradable and compliant with current IFRA guidelines, qualities that align with the demand for sustainable, safe fragrance and flavor ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1267.39
    methanol 1064.17
    isopropanol 608.03
    water 0.13
    ethyl acetate 1580.91
    n-propanol 786.55
    acetone 1668.82
    n-butanol 655.75
    acetonitrile 1210.07
    DMF 1730.17
    toluene 515.07
    isobutanol 495.56
    1,4-dioxane 1178.44
    methyl acetate 1064.39
    THF 1662.86
    2-butanone 1443.07
    n-pentanol 394.17
    sec-butanol 558.44
    n-hexane 43.82
    ethylene glycol 79.06
    NMP 1087.16
    cyclohexane 75.86
    DMSO 1462.69
    n-butyl acetate 727.65
    n-octanol 110.31
    chloroform 2973.39
    n-propyl acetate 637.91
    acetic acid 666.88
    dichloromethane 3229.97
    cyclohexanone 1365.36
    propylene glycol 200.42
    isopropyl acetate 726.23
    DMAc 1419.46
    2-ethoxyethanol 563.08
    isopentanol 501.74
    n-heptane 19.78
    ethyl formate 536.51
    1,2-dichloroethane 2359.67
    n-hexanol 387.12
    2-methoxyethanol 1050.14
    isobutyl acetate 350.09
    tetrachloromethane 141.47
    n-pentyl acetate 262.67
    transcutol 2502.87
    n-heptanol 116.98
    ethylbenzene 228.02
    MIBK 520.08
    2-propoxyethanol 707.61
    tert-butanol 527.13
    MTBE 683.28
    2-butoxyethanol 290.88
    propionic acid 513.48
    o-xylene 218.03
    formic acid 156.35
    diethyl ether 1098.65
    m-xylene 269.4
    p-xylene 273.17
    chlorobenzene 772.35
    dimethyl carbonate 351.88
    n-octane 8.06
    formamide 433.07
    cyclopentanone 1588.38
    2-pentanone 1161.37
    anisole 559.6
    cyclopentyl methyl ether 747.84
    gamma-butyrolactone 1512.81
    1-methoxy-2-propanol 804.82
    pyridine 1461.33
    3-pentanone 822.32
    furfural 1092.59
    n-dodecane 7.9
    diethylene glycol 428.43
    diisopropyl ether 208.12
    tert-amyl alcohol 458.63
    acetylacetone 1137.42
    n-hexadecane 9.41
    acetophenone 503.67
    methyl propionate 1051.27
    isopentyl acetate 585.48
    trichloroethylene 4015.73
    n-nonanol 101.96
    cyclohexanol 448.22
    benzyl alcohol 378.6
    2-ethylhexanol 215.16
    isooctanol 106.77
    dipropyl ether 300.51
    1,2-dichlorobenzene 625.15
    ethyl lactate 230.79
    propylene carbonate 780.16
    n-methylformamide 714.26
    2-pentanol 400.28
    n-pentane 34.03
    1-propoxy-2-propanol 497.72
    1-methoxy-2-propyl acetate 662.55
    2-(2-methoxypropoxy) propanol 381.22
    mesitylene 138.16
    ε-caprolactone 1020.67
    p-cymene 104.48
    epichlorohydrin 2420.62
    1,1,1-trichloroethane 1290.24
    2-aminoethanol 285.74
    morpholine-4-carbaldehyde 952.55
    sulfolane 1454.36
    2,2,4-trimethylpentane 24.23
    2-methyltetrahydrofuran 1290.72
    n-hexyl acetate 376.46
    isooctane 19.33
    2-(2-butoxyethoxy)ethanol 547.84
    sec-butyl acetate 431.61
    tert-butyl acetate 636.09
    decalin 43.42
    glycerin 210.41
    diglyme 1058.03
    acrylic acid 404.58
    isopropyl myristate 139.17
    n-butyric acid 867.99
    acetyl acetate 672.05
    di(2-ethylhexyl) phthalate 138.27
    ethyl propionate 585.95
    nitromethane 1472.31
    1,2-diethoxyethane 735.59
    benzonitrile 545.94
    trioctyl phosphate 87.58
    1-bromopropane 1060.29
    gamma-valerolactone 1485.73
    n-decanol 75.91
    triethyl phosphate 175.47
    4-methyl-2-pentanol 200.4
    propionitrile 755.11
    vinylene carbonate 666.72
    1,1,2-trichlorotrifluoroethane 943.93
    DMS 441.3
    cumene 132.24
    2-octanol 77.54
    2-hexanone 619.5
    octyl acetate 172.71
    limonene 164.01
    1,2-dimethoxyethane 977.64
    ethyl orthosilicate 161.28
    tributyl phosphate 134.33
    diacetone alcohol 623.45
    N,N-dimethylaniline 303.94
    acrylonitrile 902.37
    aniline 536.78
    1,3-propanediol 433.13
    bromobenzene 880.11
    dibromomethane 1946.99
    1,1,2,2-tetrachloroethane 2988.64
    2-methyl-cyclohexyl acetate 305.21
    tetrabutyl urea 161.51
    diisobutyl methanol 118.91
    2-phenylethanol 347.6
    styrene 333.03
    dioctyl adipate 237.42
    dimethyl sulfate 484.96
    ethyl butyrate 467.22
    methyl lactate 336.19
    butyl lactate 219.95
    diethyl carbonate 310.48
    propanediol butyl ether 269.83
    triethyl orthoformate 263.74
    p-tert-butyltoluene 99.57
    methyl 4-tert-butylbenzoate 294.58
    morpholine 1722.91
    tert-butylamine 315.89
    n-dodecanol 58.13
    dimethoxymethane 1020.71
    ethylene carbonate 576.21
    cyrene 295.0
    2-ethoxyethyl acetate 488.84
    2-ethylhexyl acetate 428.37
    1,2,4-trichlorobenzene 736.11
    4-methylpyridine 1333.59
    dibutyl ether 229.13
    2,6-dimethyl-4-heptanol 118.91
    DEF 1138.62
    dimethyl isosorbide 622.64
    tetrachloroethylene 1400.03
    eugenol 297.33
    triacetin 397.17
    span 80 280.25
    1,4-butanediol 138.84
    1,1-dichloroethane 1890.01
    2-methyl-1-pentanol 357.01
    methyl formate 437.11
    2-methyl-1-butanol 479.6
    n-decane 12.42
    butyronitrile 773.28
    3,7-dimethyl-1-octanol 155.43
    1-chlorooctane 98.72
    1-chlorotetradecane 37.95
    n-nonane 11.11
    undecane 9.62
    tert-butylcyclohexane 36.25
    cyclooctane 19.53
    cyclopentanol 434.0
    tetrahydropyran 1419.52
    tert-amyl methyl ether 465.67
    2,5,8-trioxanonane 691.08
    1-hexene 289.17
    2-isopropoxyethanol 392.29
    2,2,2-trifluoroethanol 162.54
    methyl butyrate 780.47

    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