4-Isopropoxycinnamaldehyde

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  • Identifiers

    CAS number
    159017-89-7

    Molecular formula
    C12H14O2

    SMILES
    CC(C)OC1=CC=C(C=C1)/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 79.05%
    Spicy 72.69%
    Cinnamon 52.73%
    Floral 51.6%
    Herbal 50.65%
    Vanilla 47.08%
    Balsamic 45.7%
    Warm 43.84%
    Woody 42.04%
    Anisic 41.41%

     

    Flavor
    Sweet 80.98%
    Floral 62.5%
    Spicy 54.24%
    Cinnamon 52.11%
    Spice 41.59%
    Vanilla 40.26%
    Balsam 38.11%
    Woody 37.03%
    Clove 35.36%
    Cherry 35.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.39 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 137.55 ˚C est.

  • Synonyms

    • 4-isopropoxycinnamaldehyde
    • XU8OHU6BWB
    • Fema No. 4930
    • 159017-89-7
    • UNII-XU8OHU6BWB
    • 3-(4-(Isopropyloxy)phenyl)-2E-propenal
    • 3-(4-(1-Methylethoxy)phenyl)-2-propenal
    • 2-Propenal, 3-(4-(1-methylethoxy)phenyl)-
    • (2E)-3-(4-(1-Methylethoxy)phenyl)-2-propenal
    • 3-(4-Isopropoxyphenyl)acrylaldehyde
    • 2-Propenal, 3-(4-(1-methylethoxy)phenyl)-, (E)-
    • 2-Propenal, 3-(4-(1-methylethoxy)phenyl)-, (2E)-
    • (E)-3-(4-Isopropoxyphenyl)acrylaldehyde
    • SCHEMBL5634504
    • MFCD21851672
    • 3-(4-isopropyloxy phenyl)-2e-propenal
    • 3-(4-isopropyloxy phenyl)-2e -propenal
    • SY415889
    • 3-[4-(propan-2-yloxy)phenyl]prop-2-enal
    • CS-0349895
    • EN300-1830763
    • 159017-89-7

  • Applications

    4-Isopropoxycinnamaldehyde (CAS 159017-89-7) is a cinnamaldehyde derivative commonly used as a fragrance ingredient and as a chemical intermediate in aroma chemistry. In perfumery, it contributes cinnamon-like, warm spicy notes and is frequently evaluated for inclusion in scent formulations for personal care and household products. As an intermediate, it serves as a building block for the synthesis of additional aroma compounds and related specialty chemicals in industrial manufacturing. It may also be considered for incorporation into cosmetics and personal care formulations where a controlled aroma is desired, and in coatings or inks as an odorant additive, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.35
    methanol 148.66
    isopropanol 86.74
    water 0.31
    ethyl acetate 172.45
    n-propanol 91.03
    acetone 329.99
    n-butanol 91.24
    acetonitrile 143.22
    DMF 353.18
    toluene 69.22
    isobutanol 66.86
    1,4-dioxane 305.95
    methyl acetate 202.98
    THF 433.48
    2-butanone 198.83
    n-pentanol 81.51
    sec-butanol 64.65
    n-hexane 20.0
    ethylene glycol 67.85
    NMP 287.7
    cyclohexane 17.25
    DMSO 560.99
    n-butyl acetate 163.59
    n-octanol 51.53
    chloroform 507.71
    n-propyl acetate 117.97
    acetic acid 165.31
    dichloromethane 516.34
    cyclohexanone 230.96
    propylene glycol 82.93
    isopropyl acetate 108.98
    DMAc 433.64
    2-ethoxyethanol 166.98
    isopentanol 91.99
    n-heptane 14.11
    ethyl formate 88.59
    1,2-dichloroethane 360.64
    n-hexanol 105.24
    2-methoxyethanol 243.63
    isobutyl acetate 97.15
    tetrachloromethane 51.15
    n-pentyl acetate 77.46
    transcutol 746.57
    n-heptanol 40.09
    ethylbenzene 54.25
    MIBK 116.47
    2-propoxyethanol 215.14
    tert-butanol 154.51
    MTBE 163.46
    2-butoxyethanol 92.01
    propionic acid 111.98
    o-xylene 55.87
    formic acid 54.17
    diethyl ether 162.09
    m-xylene 62.89
    p-xylene 65.88
    chlorobenzene 128.02
    dimethyl carbonate 101.67
    n-octane 7.79
    formamide 77.67
    cyclopentanone 311.85
    2-pentanone 158.31
    anisole 146.86
    cyclopentyl methyl ether 173.96
    gamma-butyrolactone 323.21
    1-methoxy-2-propanol 191.33
    pyridine 171.61
    3-pentanone 134.68
    furfural 253.95
    n-dodecane 9.43
    diethylene glycol 192.12
    diisopropyl ether 55.1
    tert-amyl alcohol 104.23
    acetylacetone 231.58
    n-hexadecane 10.49
    acetophenone 125.28
    methyl propionate 150.1
    isopentyl acetate 158.12
    trichloroethylene 547.75
    n-nonanol 48.26
    cyclohexanol 84.34
    benzyl alcohol 100.28
    2-ethylhexanol 73.68
    isooctanol 37.98
    dipropyl ether 100.02
    1,2-dichlorobenzene 133.29
    ethyl lactate 76.92
    propylene carbonate 177.99
    n-methylformamide 110.58
    2-pentanol 60.12
    n-pentane 11.15
    1-propoxy-2-propanol 155.7
    1-methoxy-2-propyl acetate 190.85
    2-(2-methoxypropoxy) propanol 158.53
    mesitylene 47.8
    ε-caprolactone 195.64
    p-cymene 46.09
    epichlorohydrin 398.15
    1,1,1-trichloroethane 248.65
    2-aminoethanol 86.11
    morpholine-4-carbaldehyde 310.54
    sulfolane 427.74
    2,2,4-trimethylpentane 12.4
    2-methyltetrahydrofuran 248.79
    n-hexyl acetate 123.96
    isooctane 10.6
    2-(2-butoxyethoxy)ethanol 185.42
    sec-butyl acetate 90.35
    tert-butyl acetate 153.38
    decalin 21.71
    glycerin 117.05
    diglyme 335.06
    acrylic acid 106.18
    isopropyl myristate 62.98
    n-butyric acid 129.91
    acetyl acetate 134.61
    di(2-ethylhexyl) phthalate 67.57
    ethyl propionate 110.12
    nitromethane 288.12
    1,2-diethoxyethane 233.18
    benzonitrile 115.91
    trioctyl phosphate 43.08
    1-bromopropane 161.36
    gamma-valerolactone 323.32
    n-decanol 40.59
    triethyl phosphate 77.59
    4-methyl-2-pentanol 52.69
    propionitrile 104.33
    vinylene carbonate 157.79
    1,1,2-trichlorotrifluoroethane 255.94
    DMS 158.64
    cumene 45.44
    2-octanol 30.42
    2-hexanone 127.85
    octyl acetate 72.14
    limonene 65.83
    1,2-dimethoxyethane 295.23
    ethyl orthosilicate 74.29
    tributyl phosphate 65.19
    diacetone alcohol 162.4
    N,N-dimethylaniline 99.61
    acrylonitrile 127.42
    aniline 94.15
    1,3-propanediol 107.02
    bromobenzene 143.22
    dibromomethane 309.26
    1,1,2,2-tetrachloroethane 441.21
    2-methyl-cyclohexyl acetate 112.99
    tetrabutyl urea 84.3
    diisobutyl methanol 52.76
    2-phenylethanol 106.08
    styrene 70.9
    dioctyl adipate 98.71
    dimethyl sulfate 179.34
    ethyl butyrate 113.77
    methyl lactate 98.28
    butyl lactate 74.34
    diethyl carbonate 97.65
    propanediol butyl ether 103.77
    triethyl orthoformate 90.04
    p-tert-butyltoluene 47.51
    methyl 4-tert-butylbenzoate 118.55
    morpholine 289.48
    tert-butylamine 90.41
    n-dodecanol 35.44
    dimethoxymethane 249.72
    ethylene carbonate 135.25
    cyrene 141.31
    2-ethoxyethyl acetate 138.42
    2-ethylhexyl acetate 122.26
    1,2,4-trichlorobenzene 165.15
    4-methylpyridine 163.39
    dibutyl ether 96.99
    2,6-dimethyl-4-heptanol 52.76
    DEF 178.22
    dimethyl isosorbide 255.23
    tetrachloroethylene 237.66
    eugenol 114.66
    triacetin 158.29
    span 80 109.23
    1,4-butanediol 57.36
    1,1-dichloroethane 272.83
    2-methyl-1-pentanol 82.81
    methyl formate 105.3
    2-methyl-1-butanol 75.71
    n-decane 12.92
    butyronitrile 106.99
    3,7-dimethyl-1-octanol 64.76
    1-chlorooctane 51.26
    1-chlorotetradecane 26.91
    n-nonane 12.32
    undecane 10.68
    tert-butylcyclohexane 22.95
    cyclooctane 7.71
    cyclopentanol 90.88
    tetrahydropyran 214.77
    tert-amyl methyl ether 118.7
    2,5,8-trioxanonane 253.9
    1-hexene 66.25
    2-isopropoxyethanol 124.35
    2,2,2-trifluoroethanol 67.36
    methyl butyrate 132.36

    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