2,4-Diisopropyl methyl cinnamate

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  • Identifiers

    CAS number
    32580-71-5

    Molecular formula
    C16H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 64.56%
    Herbal 60.05%
    Green 53.63%
    Woody 52.21%
    Spicy 47.59%
    Sweet 41.59%
    Fresh 39.83%
    Floral 38.91%
    Balsamic 35.15%
    Dry 32.84%

     

    Flavor
    Herbal 39.76%
    Woody 39.14%
    Bitter 29.04%
    Fruity 27.44%
    Floral 23.78%
    Spicy 22.42%
    Broom 20.06%
    Genet 20.03%
    Heather 19.93%
    Herb 19.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.53 (neutral)

    Molecular weight
    246.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 140.2 ˚C est.

  • Synonyms

    • 2,4-diisopropyl methyl cinnamate
    • 32580-71-5
    • 821PF9N7SA
    • Diisopropyl methyl cinnamate, 2,4-
    • UNII-821PF9N7SA
    • Cinnamic acid, 2,4-diisopropyl-, methyl ester
    • 2-Propenoic acid, 3-(2,4-bis(1-methylethyl)phenyl)-, methyl ester
    • RefChem:82469
    • methyl (E)-3-[2,4-di(propan-2-yl)phenyl]prop-2-enoate
    • SCHEMBL645927
    • Q27269292
    • 32580-71-5

  • Applications

    2,4-Diisopropyl methyl cinnamate (CAS 32580-71-5) is primarily used in the fragrance industry as a fragrance ingredient and fixative in perfume formulations, and is commonly employed as a scent component in cosmetics and personal care products. It also appears in household cleaning products as an odorant or fragrance additive, and may serve as an intermediate in fragrance synthesis for industrial manufacturing. In addition, it is evaluated in the research and development of aroma chemicals as a building block for new formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 423.58
    methanol 264.34
    isopropanol 309.53
    water 0.03
    ethyl acetate 1172.59
    n-propanol 482.73
    acetone 1095.68
    n-butanol 389.18
    acetonitrile 503.02
    DMF 1997.92
    toluene 719.5
    isobutanol 310.69
    1,4-dioxane 1328.45
    methyl acetate 978.25
    THF 1912.35
    2-butanone 1302.58
    n-pentanol 305.51
    sec-butanol 418.29
    n-hexane 67.33
    ethylene glycol 23.5
    NMP 1536.24
    cyclohexane 79.36
    DMSO 712.86
    n-butyl acetate 610.89
    n-octanol 90.85
    chloroform 2516.91
    n-propyl acetate 583.31
    acetic acid 192.92
    dichloromethane 2810.23
    cyclohexanone 1453.94
    propylene glycol 76.42
    isopropyl acetate 539.81
    DMAc 1465.45
    2-ethoxyethanol 424.87
    isopentanol 327.38
    n-heptane 16.99
    ethyl formate 344.45
    1,2-dichloroethane 1987.17
    n-hexanol 302.98
    2-methoxyethanol 570.05
    isobutyl acetate 338.55
    tetrachloromethane 235.12
    n-pentyl acetate 314.69
    transcutol 1210.1
    n-heptanol 115.65
    ethylbenzene 318.82
    MIBK 436.48
    2-propoxyethanol 513.79
    tert-butanol 414.02
    MTBE 879.56
    2-butoxyethanol 261.3
    propionic acid 272.56
    o-xylene 337.0
    formic acid 35.21
    diethyl ether 1166.79
    m-xylene 358.87
    p-xylene 363.05
    chlorobenzene 774.55
    dimethyl carbonate 312.36
    n-octane 8.87
    formamide 125.45
    cyclopentanone 1837.62
    2-pentanone 1060.15
    anisole 661.2
    cyclopentyl methyl ether 1010.42
    gamma-butyrolactone 1410.03
    1-methoxy-2-propanol 513.33
    pyridine 1372.42
    3-pentanone 915.23
    furfural 915.59
    n-dodecane 5.71
    diethylene glycol 204.73
    diisopropyl ether 217.49
    tert-amyl alcohol 441.11
    acetylacetone 821.69
    n-hexadecane 7.22
    acetophenone 534.51
    methyl propionate 1010.96
    isopentyl acetate 505.08
    trichloroethylene 3271.52
    n-nonanol 89.47
    cyclohexanol 390.34
    benzyl alcohol 398.49
    2-ethylhexanol 177.18
    isooctanol 101.58
    dipropyl ether 273.68
    1,2-dichlorobenzene 605.27
    ethyl lactate 182.19
    propylene carbonate 641.39
    n-methylformamide 519.89
    2-pentanol 292.3
    n-pentane 40.62
    1-propoxy-2-propanol 358.89
    1-methoxy-2-propyl acetate 557.13
    2-(2-methoxypropoxy) propanol 244.76
    mesitylene 178.76
    ε-caprolactone 1028.45
    p-cymene 118.23
    epichlorohydrin 2127.91
    1,1,1-trichloroethane 1236.27
    2-aminoethanol 105.27
    morpholine-4-carbaldehyde 1265.86
    sulfolane 1410.58
    2,2,4-trimethylpentane 28.75
    2-methyltetrahydrofuran 1560.65
    n-hexyl acetate 383.36
    isooctane 18.4
    2-(2-butoxyethoxy)ethanol 345.92
    sec-butyl acetate 406.87
    tert-butyl acetate 556.42
    decalin 51.98
    glycerin 80.1
    diglyme 765.88
    acrylic acid 194.02
    isopropyl myristate 117.72
    n-butyric acid 421.26
    acetyl acetate 402.99
    di(2-ethylhexyl) phthalate 122.28
    ethyl propionate 515.08
    nitromethane 621.07
    1,2-diethoxyethane 540.53
    benzonitrile 473.27
    trioctyl phosphate 77.8
    1-bromopropane 1056.71
    gamma-valerolactone 1670.79
    n-decanol 61.75
    triethyl phosphate 153.48
    4-methyl-2-pentanol 143.7
    propionitrile 512.76
    vinylene carbonate 527.97
    1,1,2-trichlorotrifluoroethane 799.21
    DMS 382.84
    cumene 168.25
    2-octanol 85.93
    2-hexanone 580.01
    octyl acetate 158.03
    limonene 170.64
    1,2-dimethoxyethane 913.85
    ethyl orthosilicate 150.27
    tributyl phosphate 107.04
    diacetone alcohol 484.51
    N,N-dimethylaniline 375.46
    acrylonitrile 563.55
    aniline 670.76
    1,3-propanediol 171.67
    bromobenzene 889.13
    dibromomethane 1687.04
    1,1,2,2-tetrachloroethane 2330.78
    2-methyl-cyclohexyl acetate 292.14
    tetrabutyl urea 139.77
    diisobutyl methanol 92.33
    2-phenylethanol 348.52
    styrene 428.1
    dioctyl adipate 193.3
    dimethyl sulfate 458.34
    ethyl butyrate 373.9
    methyl lactate 210.3
    butyl lactate 200.98
    diethyl carbonate 234.58
    propanediol butyl ether 193.32
    triethyl orthoformate 231.15
    p-tert-butyltoluene 116.54
    methyl 4-tert-butylbenzoate 297.51
    morpholine 1787.85
    tert-butylamine 265.41
    n-dodecanol 43.18
    dimethoxymethane 1098.78
    ethylene carbonate 437.28
    cyrene 321.13
    2-ethoxyethyl acetate 494.2
    2-ethylhexyl acetate 418.08
    1,2,4-trichlorobenzene 755.22
    4-methylpyridine 1561.84
    dibutyl ether 188.94
    2,6-dimethyl-4-heptanol 92.33
    DEF 1364.06
    dimethyl isosorbide 520.18
    tetrachloroethylene 1197.55
    eugenol 266.94
    triacetin 323.77
    span 80 201.93
    1,4-butanediol 79.88
    1,1-dichloroethane 1686.25
    2-methyl-1-pentanol 312.54
    methyl formate 322.57
    2-methyl-1-butanol 372.67
    n-decane 11.69
    butyronitrile 532.16
    3,7-dimethyl-1-octanol 109.76
    1-chlorooctane 95.74
    1-chlorotetradecane 30.04
    n-nonane 10.92
    undecane 7.78
    tert-butylcyclohexane 47.62
    cyclooctane 21.95
    cyclopentanol 366.36
    tetrahydropyran 1497.26
    tert-amyl methyl ether 582.81
    2,5,8-trioxanonane 416.33
    1-hexene 363.48
    2-isopropoxyethanol 337.08
    2,2,2-trifluoroethanol 70.88
    methyl butyrate 670.86

    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