3-Methoxycinnamaldehyde

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  • Identifiers

    CAS number
    56578-36-0

    Molecular formula
    C10H10O2

    SMILES
    COC1=CC=CC(=C1)/C=C/C=O

  • Odor profile

    Sweet 90.19%
    Spicy 83.59%
    Cinnamon 75.73%
    Floral 63.06%
    Vanilla 58.5%
    Balsamic 57.62%
    Warm 54.14%
    Powdery 53.14%
    Cherry 48.81%
    Anisic 45.04%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.67 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point est.
    122.98 ˚C

  • Synonyms

    • 3-Methoxycinnamaldehyde
    • 56578-36-0
    • (E)-3-(3-Methoxyphenyl)acrylaldehyde
    • 3-(3-methoxyphenyl)acrylaldehyde
    • (E)-3-(3-methoxyphenyl)prop-2-enal
    • m-methoxycinnamaldehyde
    • 39677-52-6
    • CHEMBL5418642
    • MFCD11226259
    • AKOS006309611
    • NCGC00170998-01
    • (2E)-3-(3-Methoxyphenyl)-2-propenal #
    • CS-0188369
    • PK04_096273
    • E75306
    • EN300-1246744
    • BRD-K91595630-001-01-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 215.79
    methanol 210.75
    isopropanol 140.94
    water 0.72
    ethyl acetate 361.99
    n-propanol 163.0
    acetone 414.04
    n-butanol 121.11
    acetonitrile 405.33
    DMF 432.12
    toluene 148.56
    isobutanol 102.88
    1,4-dioxane 680.31
    methyl acetate 416.81
    THF 493.24
    2-butanone 341.72
    n-pentanol 92.23
    sec-butanol 116.51
    n-hexane 13.56
    ethylene glycol 128.6
    NMP 284.43
    cyclohexane 26.08
    DMSO 876.32
    n-butyl acetate 137.03
    n-octanol 40.56
    chloroform 852.47
    n-propyl acetate 172.26
    acetic acid 242.82
    dichloromethane 942.51
    cyclohexanone 301.07
    propylene glycol 135.86
    isopropyl acetate 129.32
    DMAc 393.06
    2-ethoxyethanol 242.85
    isopentanol 96.28
    n-heptane 12.65
    ethyl formate 185.64
    1,2-dichloroethane 652.58
    n-hexanol 92.5
    2-methoxyethanol 371.51
    isobutyl acetate 95.24
    tetrachloromethane 96.83
    n-pentyl acetate 61.59
    transcutol 684.28
    n-heptanol 36.16
    ethylbenzene 68.11
    MIBK 107.63
    2-propoxyethanol 190.83
    tert-butanol 220.27
    MTBE 172.79
    2-butoxyethanol 91.45
    propionic acid 212.79
    o-xylene 84.33
    formic acid 104.06
    diethyl ether 244.49
    m-xylene 81.44
    p-xylene 76.17
    chlorobenzene 193.63
    dimethyl carbonate 136.13
    n-octane 5.98
    formamide 212.62
    cyclopentanone 381.62
    2-pentanone 193.1
    anisole 192.97
    cyclopentyl methyl ether 187.97
    gamma-butyrolactone 487.52
    1-methoxy-2-propanol 229.86
    pyridine 416.63
    3-pentanone 181.48
    furfural 407.34
    n-dodecane 6.18
    diethylene glycol 221.61
    diisopropyl ether 47.86
    tert-amyl alcohol 142.35
    acetylacetone 253.99
    n-hexadecane 7.05
    acetophenone 146.75
    methyl propionate 269.99
    isopentyl acetate 114.47
    trichloroethylene 1010.69
    n-nonanol 38.68
    cyclohexanol 118.94
    benzyl alcohol 133.78
    2-ethylhexanol 58.99
    isooctanol 33.29
    dipropyl ether 85.03
    1,2-dichlorobenzene 159.53
    ethyl lactate 87.72
    propylene carbonate 231.1
    n-methylformamide 254.05
    2-pentanol 75.32
    n-pentane 10.6
    1-propoxy-2-propanol 119.32
    1-methoxy-2-propyl acetate 152.87
    2-(2-methoxypropoxy) propanol 130.64
    mesitylene 51.15
    ε-caprolactone 244.65
    p-cymene 40.87
    epichlorohydrin 649.29
    1,1,1-trichloroethane 425.68
    2-aminoethanol 159.41
    morpholine-4-carbaldehyde 362.2
    sulfolane 511.45
    2,2,4-trimethylpentane 9.79
    2-methyltetrahydrofuran 336.36
    n-hexyl acetate 88.46
    isooctane 7.94
    2-(2-butoxyethoxy)ethanol 160.96
    sec-butyl acetate 101.83
    tert-butyl acetate 141.3
    decalin 19.52
    glycerin 184.57
    diglyme 339.63
    acrylic acid 199.85
    isopropyl myristate 46.63
    n-butyric acid 192.47
    acetyl acetate 181.01
    di(2-ethylhexyl) phthalate 45.94
    ethyl propionate 156.71
    nitromethane 545.63
    1,2-diethoxyethane 185.55
    benzonitrile 156.43
    trioctyl phosphate 31.49
    1-bromopropane 268.12
    gamma-valerolactone 426.05
    n-decanol 32.0
    triethyl phosphate 69.72
    4-methyl-2-pentanol 48.08
    propionitrile 249.54
    vinylene carbonate 226.19
    1,1,2-trichlorotrifluoroethane 375.05
    DMS 144.75
    cumene 47.51
    2-octanol 25.72
    2-hexanone 140.22
    octyl acetate 53.09
    limonene 56.33
    1,2-dimethoxyethane 370.2
    ethyl orthosilicate 64.29
    tributyl phosphate 43.74
    diacetone alcohol 165.34
    N,N-dimethylaniline 107.1
    acrylonitrile 326.77
    aniline 187.88
    1,3-propanediol 181.15
    bromobenzene 207.83
    dibromomethane 565.73
    1,1,2,2-tetrachloroethane 681.76
    2-methyl-cyclohexyl acetate 88.32
    tetrabutyl urea 58.62
    diisobutyl methanol 42.84
    2-phenylethanol 105.19
    styrene 96.61
    dioctyl adipate 74.23
    dimethyl sulfate 219.49
    ethyl butyrate 115.26
    methyl lactate 122.36
    butyl lactate 59.71
    diethyl carbonate 98.22
    propanediol butyl ether 90.29
    triethyl orthoformate 81.54
    p-tert-butyltoluene 40.96
    methyl 4-tert-butylbenzoate 106.66
    morpholine 609.75
    tert-butylamine 109.94
    n-dodecanol 27.52
    dimethoxymethane 295.71
    ethylene carbonate 180.15
    cyrene 129.86
    2-ethoxyethyl acetate 121.12
    2-ethylhexyl acetate 89.45
    1,2,4-trichlorobenzene 200.96
    4-methylpyridine 287.41
    dibutyl ether 68.68
    2,6-dimethyl-4-heptanol 42.84
    DEF 229.55
    dimethyl isosorbide 198.76
    tetrachloroethylene 407.51
    eugenol 106.83
    triacetin 130.5
    span 80 85.93
    1,4-butanediol 80.27
    1,1-dichloroethane 523.43
    2-methyl-1-pentanol 80.96
    methyl formate 222.96
    2-methyl-1-butanol 91.36
    n-decane 9.0
    butyronitrile 171.07
    3,7-dimethyl-1-octanol 51.9
    1-chlorooctane 38.41
    1-chlorotetradecane 19.1
    n-nonane 8.62
    undecane 7.29
    tert-butylcyclohexane 17.97
    cyclooctane 9.86
    cyclopentanol 131.61
    tetrahydropyran 424.55
    tert-amyl methyl ether 118.53
    2,5,8-trioxanonane 233.99
    1-hexene 57.33
    2-isopropoxyethanol 152.44
    2,2,2-trifluoroethanol 114.01
    methyl butyrate 190.74

    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