Ethyl 2,3-diisopropylcinnamate

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  • Identifiers

    CAS number
    137886-46-5

    Molecular formula
    C17H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 65.97%
    Herbal 52.95%
    Woody 50.75%
    Floral 49.05%
    Sweet 45.32%
    Balsamic 44.57%
    Spicy 43.14%
    Green 41.62%
    Dry 34.6%
    Fresh 33.22%

     

    Flavor
    Herbal 33.96%
    Fruity 33.7%
    Bitter 33.62%
    Woody 33.21%
    Floral 30.59%
    Broom 20.85%
    Heather 20.75%
    Genet 20.71%
    Light 19.38%
    Parsley 18.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.17 (neutral)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 152.84 ˚C est.

  • Synonyms

    • Ethyl 2,3-diisopropylcinnamate
    • UNII-MXN981IQC8
    • Diisopropyl ethyl cinnamate, 2,3-
    • MXN981IQC8
    • 137886-46-5
    • 2-Propenoic acid, 3-(2,3-bis(1-methylethyl)phenyl)-, ethyl ester
    • SCHEMBL15512
    • Q27284284
    • 137886-46-5

  • Applications

    Ethyl 2,3-diisopropylcinnamate (CAS 137886-46-5) is primarily used as a fragrance ingredient and odor fixative in perfumery and cosmetics, helping to stabilize and extend the scent on skin and hair. It is also used in household products such as cleaners and air fresheners as a fragrance component for long-lasting aromas. In coatings, finishes, and inks, it can serve as a fragrance additive or odor-retaining ingredient. In addition, it may act as a synthetic intermediate for preparing other cinnamate derivatives and may function as a processing aid or plasticizer in select polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 332.54
    methanol 243.6
    isopropanol 286.0
    water 0.1
    ethyl acetate 1604.42
    n-propanol 390.23
    acetone 2100.76
    n-butanol 397.28
    acetonitrile 992.64
    DMF 3902.08
    toluene 1191.99
    isobutanol 341.87
    1,4-dioxane 1729.6
    methyl acetate 1275.91
    THF 3665.1
    2-butanone 1772.31
    n-pentanol 324.27
    sec-butanol 364.83
    n-hexane 298.39
    ethylene glycol 64.7
    NMP 3897.39
    cyclohexane 246.47
    DMSO 2620.77
    n-butyl acetate 998.13
    n-octanol 206.69
    chloroform 3843.99
    n-propyl acetate 852.89
    acetic acid 397.45
    dichloromethane 4616.81
    cyclohexanone 2632.5
    propylene glycol 107.17
    isopropyl acetate 1028.51
    DMAc 2891.06
    2-ethoxyethanol 523.7
    isopentanol 393.09
    n-heptane 69.16
    ethyl formate 603.67
    1,2-dichloroethane 3943.17
    n-hexanol 412.28
    2-methoxyethanol 833.86
    isobutyl acetate 568.97
    tetrachloromethane 600.01
    n-pentyl acetate 727.43
    transcutol 1755.98
    n-heptanol 189.02
    ethylbenzene 563.53
    MIBK 950.89
    2-propoxyethanol 793.83
    tert-butanol 449.13
    MTBE 1241.74
    2-butoxyethanol 400.88
    propionic acid 480.65
    o-xylene 644.31
    formic acid 98.84
    diethyl ether 1545.62
    m-xylene 823.86
    p-xylene 600.5
    chlorobenzene 1574.89
    dimethyl carbonate 992.62
    n-octane 36.5
    formamide 280.35
    cyclopentanone 3973.14
    2-pentanone 1708.89
    anisole 1045.66
    cyclopentyl methyl ether 2469.9
    gamma-butyrolactone 3411.37
    1-methoxy-2-propanol 772.12
    pyridine 1734.19
    3-pentanone 1724.28
    furfural 1912.49
    n-dodecane 21.42
    diethylene glycol 387.97
    diisopropyl ether 522.12
    tert-amyl alcohol 507.49
    acetylacetone 1933.72
    n-hexadecane 27.46
    acetophenone 913.04
    methyl propionate 1709.21
    isopentyl acetate 880.84
    trichloroethylene 6139.76
    n-nonanol 184.63
    cyclohexanol 651.18
    benzyl alcohol 511.67
    2-ethylhexanol 304.23
    isooctanol 171.87
    dipropyl ether 552.26
    1,2-dichlorobenzene 1438.52
    ethyl lactate 310.06
    propylene carbonate 1485.32
    n-methylformamide 1019.05
    2-pentanol 368.85
    n-pentane 157.99
    1-propoxy-2-propanol 569.5
    1-methoxy-2-propyl acetate 1054.05
    2-(2-methoxypropoxy) propanol 410.11
    mesitylene 489.63
    ε-caprolactone 1924.5
    p-cymene 240.22
    epichlorohydrin 4266.02
    1,1,1-trichloroethane 2952.28
    2-aminoethanol 155.04
    morpholine-4-carbaldehyde 2356.71
    sulfolane 4576.98
    2,2,4-trimethylpentane 88.25
    2-methyltetrahydrofuran 2739.94
    n-hexyl acetate 994.13
    isooctane 67.22
    2-(2-butoxyethoxy)ethanol 565.17
    sec-butyl acetate 678.57
    tert-butyl acetate 1250.64
    decalin 163.72
    glycerin 164.39
    diglyme 1278.87
    acrylic acid 464.31
    isopropyl myristate 292.31
    n-butyric acid 714.29
    acetyl acetate 913.72
    di(2-ethylhexyl) phthalate 260.94
    ethyl propionate 985.43
    nitromethane 1539.57
    1,2-diethoxyethane 967.62
    benzonitrile 841.52
    trioctyl phosphate 198.44
    1-bromopropane 1953.16
    gamma-valerolactone 3020.79
    n-decanol 127.07
    triethyl phosphate 333.39
    4-methyl-2-pentanol 236.04
    propionitrile 812.14
    vinylene carbonate 1188.13
    1,1,2-trichlorotrifluoroethane 1698.23
    DMS 1166.86
    cumene 325.54
    2-octanol 173.04
    2-hexanone 982.25
    octyl acetate 401.81
    limonene 383.89
    1,2-dimethoxyethane 1359.17
    ethyl orthosilicate 313.47
    tributyl phosphate 280.0
    diacetone alcohol 866.43
    N,N-dimethylaniline 695.16
    acrylonitrile 1007.21
    aniline 901.21
    1,3-propanediol 247.09
    bromobenzene 2037.13
    dibromomethane 2990.78
    1,1,2,2-tetrachloroethane 4571.17
    2-methyl-cyclohexyl acetate 539.09
    tetrabutyl urea 377.41
    diisobutyl methanol 169.47
    2-phenylethanol 509.71
    styrene 717.28
    dioctyl adipate 408.19
    dimethyl sulfate 1822.37
    ethyl butyrate 633.25
    methyl lactate 502.42
    butyl lactate 423.39
    diethyl carbonate 413.51
    propanediol butyl ether 341.57
    triethyl orthoformate 406.89
    p-tert-butyltoluene 244.84
    methyl 4-tert-butylbenzoate 635.11
    morpholine 2098.77
    tert-butylamine 344.08
    n-dodecanol 93.33
    dimethoxymethane 2288.08
    ethylene carbonate 1028.78
    cyrene 560.48
    2-ethoxyethyl acetate 996.01
    2-ethylhexyl acetate 777.39
    1,2,4-trichlorobenzene 1609.03
    4-methylpyridine 2034.45
    dibutyl ether 498.56
    2,6-dimethyl-4-heptanol 169.47
    DEF 2291.95
    dimethyl isosorbide 1020.3
    tetrachloroethylene 2414.98
    eugenol 501.7
    triacetin 759.23
    span 80 376.93
    1,4-butanediol 130.65
    1,1-dichloroethane 2889.02
    2-methyl-1-pentanol 370.03
    methyl formate 794.16
    2-methyl-1-butanol 425.32
    n-decane 43.82
    butyronitrile 831.5
    3,7-dimethyl-1-octanol 215.01
    1-chlorooctane 299.38
    1-chlorotetradecane 94.03
    n-nonane 46.29
    undecane 29.41
    tert-butylcyclohexane 140.34
    cyclooctane 104.0
    cyclopentanol 711.24
    tetrahydropyran 2033.32
    tert-amyl methyl ether 1079.14
    2,5,8-trioxanonane 703.76
    1-hexene 722.0
    2-isopropoxyethanol 416.33
    2,2,2-trifluoroethanol 263.28
    methyl butyrate 1113.74

    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