Phenylzimtaldehyd

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  • Identifiers

    Molecular formula
    C15H12O

    SMILES
    C1=CC=C(C=C1)C=C(C=O)C2=CC=CC=C2

  • Odor profile

    Floral 76.27%
    Balsamic 74.72%
    Sweet 73.6%
    Spicy 65.53%
    Cinnamon 60.66%
    Honey 53.19%
    Powdery 47.99%
    Rose 44.39%
    Fruity 39.35%
    Cocoa 36.32%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point est.
    167.07 ˚C

  • Synonyms

    • MLS003106633
    • Phenylzimtaldehyd
    • SCHEMBL566814
    • CHEMBL2132458
    • SMR001821526

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.93
    methanol 32.57
    isopropanol 17.31
    water 0.15
    ethyl acetate 182.31
    n-propanol 30.34
    acetone 234.66
    n-butanol 23.89
    acetonitrile 132.42
    DMF 540.99
    toluene 76.44
    isobutanol 19.51
    1,4-dioxane 254.33
    methyl acetate 194.36
    THF 343.72
    2-butanone 218.51
    n-pentanol 22.39
    sec-butanol 17.33
    n-hexane 3.09
    ethylene glycol 17.42
    NMP 263.72
    cyclohexane 5.2
    DMSO 251.99
    n-butyl acetate 100.64
    n-octanol 13.05
    chloroform 384.28
    n-propyl acetate 111.84
    acetic acid 79.86
    dichloromethane 454.08
    cyclohexanone 262.68
    propylene glycol 20.89
    isopropyl acetate 96.72
    DMAc 423.66
    2-ethoxyethanol 60.97
    isopentanol 23.76
    n-heptane 5.02
    ethyl formate 106.05
    1,2-dichloroethane 495.7
    n-hexanol 26.41
    2-methoxyethanol 112.15
    isobutyl acetate 71.73
    tetrachloromethane 16.03
    n-pentyl acetate 48.94
    transcutol 422.94
    n-heptanol 15.23
    ethylbenzene 58.84
    MIBK 93.51
    2-propoxyethanol 70.83
    tert-butanol 24.1
    MTBE 39.31
    2-butoxyethanol 46.19
    propionic acid 66.93
    o-xylene 43.12
    formic acid 22.38
    diethyl ether 78.11
    m-xylene 42.11
    p-xylene 54.32
    chlorobenzene 155.26
    dimethyl carbonate 137.36
    n-octane 2.45
    formamide 91.29
    cyclopentanone 398.98
    2-pentanone 157.27
    anisole 168.27
    cyclopentyl methyl ether 96.14
    gamma-butyrolactone 435.63
    1-methoxy-2-propanol 81.63
    pyridine 434.41
    3-pentanone 143.74
    furfural 355.45
    n-dodecane 2.14
    diethylene glycol 55.91
    diisopropyl ether 22.56
    tert-amyl alcohol 20.81
    acetylacetone 264.16
    n-hexadecane 2.57
    acetophenone 159.69
    methyl propionate 185.15
    isopentyl acetate 93.29
    trichloroethylene 864.81
    n-nonanol 13.87
    cyclohexanol 24.58
    benzyl alcohol 75.64
    2-ethylhexanol 24.87
    isooctanol 15.9
    dipropyl ether 57.32
    1,2-dichlorobenzene 157.47
    ethyl lactate 49.85
    propylene carbonate 214.19
    n-methylformamide 173.06
    2-pentanol 16.25
    n-pentane 1.81
    1-propoxy-2-propanol 54.6
    1-methoxy-2-propyl acetate 124.71
    2-(2-methoxypropoxy) propanol 70.32
    mesitylene 28.12
    ε-caprolactone 203.57
    p-cymene 28.78
    epichlorohydrin 585.66
    1,1,1-trichloroethane 187.06
    2-aminoethanol 29.47
    morpholine-4-carbaldehyde 268.03
    sulfolane 373.81
    2,2,4-trimethylpentane 2.42
    2-methyltetrahydrofuran 140.18
    n-hexyl acetate 62.03
    isooctane 2.28
    2-(2-butoxyethoxy)ethanol 88.99
    sec-butyl acetate 77.44
    tert-butyl acetate 95.13
    decalin 7.78
    glycerin 37.24
    diglyme 266.93
    acrylic acid 82.74
    isopropyl myristate 30.3
    n-butyric acid 86.46
    acetyl acetate 135.02
    di(2-ethylhexyl) phthalate 28.66
    ethyl propionate 120.68
    nitromethane 353.38
    1,2-diethoxyethane 121.95
    benzonitrile 137.17
    trioctyl phosphate 17.13
    1-bromopropane 99.1
    gamma-valerolactone 400.39
    n-decanol 11.3
    triethyl phosphate 51.23
    4-methyl-2-pentanol 16.87
    propionitrile 106.22
    vinylene carbonate 217.26
    1,1,2-trichlorotrifluoroethane 241.49
    DMS 121.65
    cumene 33.92
    2-octanol 9.64
    2-hexanone 108.71
    octyl acetate 33.26
    limonene 34.03
    1,2-dimethoxyethane 219.1
    ethyl orthosilicate 44.32
    tributyl phosphate 24.68
    diacetone alcohol 101.43
    N,N-dimethylaniline 83.28
    acrylonitrile 199.89
    aniline 85.91
    1,3-propanediol 36.4
    bromobenzene 159.55
    dibromomethane 222.26
    1,1,2,2-tetrachloroethane 582.13
    2-methyl-cyclohexyl acetate 69.47
    tetrabutyl urea 36.89
    diisobutyl methanol 22.7
    2-phenylethanol 61.79
    styrene 83.55
    dioctyl adipate 54.28
    dimethyl sulfate 194.29
    ethyl butyrate 103.84
    methyl lactate 73.84
    butyl lactate 41.15
    diethyl carbonate 80.65
    propanediol butyl ether 38.37
    triethyl orthoformate 62.1
    p-tert-butyltoluene 26.35
    methyl 4-tert-butylbenzoate 84.87
    morpholine 225.66
    tert-butylamine 14.82
    n-dodecanol 9.57
    dimethoxymethane 245.83
    ethylene carbonate 148.14
    cyrene 78.14
    2-ethoxyethyl acetate 96.94
    2-ethylhexyl acetate 75.42
    1,2,4-trichlorobenzene 184.01
    4-methylpyridine 251.24
    dibutyl ether 42.01
    2,6-dimethyl-4-heptanol 22.7
    DEF 191.68
    dimethyl isosorbide 166.03
    tetrachloroethylene 260.3
    eugenol 75.78
    triacetin 94.31
    span 80 45.59
    1,4-butanediol 14.97
    1,1-dichloroethane 199.12
    2-methyl-1-pentanol 25.7
    methyl formate 153.22
    2-methyl-1-butanol 20.85
    n-decane 3.36
    butyronitrile 76.5
    3,7-dimethyl-1-octanol 20.9
    1-chlorooctane 18.93
    1-chlorotetradecane 8.43
    n-nonane 2.99
    undecane 2.6
    tert-butylcyclohexane 6.71
    cyclooctane 2.29
    cyclopentanol 34.38
    tetrahydropyran 159.69
    tert-amyl methyl ether 37.4
    2,5,8-trioxanonane 154.02
    1-hexene 19.5
    2-isopropoxyethanol 46.26
    2,2,2-trifluoroethanol 39.17
    methyl butyrate 156.03

    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