Nonanal, 2-(phenylmethylene)-

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  • Identifiers

    CAS number
    20175-19-3

    Molecular formula
    C16H22O

    SMILES
    CCCCCCCC(=CC1=CC=CC=C1)C=O

  • Odor profile

    Fragrance
    Floral 77.05%
    Green 75.22%
    Fruity 67.36%
    Waxy 56.38%
    Sweet 55.23%
    Jasmin 53.06%
    Herbal 50.8%
    Fresh 47.45%
    Aldehydic 44.77%
    Oily 43.72%

     

    Flavor
    Herbal 52.47%
    Green 51.56%
    Floral 49.3%
    Waxy 48.4%
    Fresh 46.96%
    Jasmin 37.0%
    Oily 28.22%
    Spicy 27.24%
    Balsam 27.06%
    Fruity 24.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.6 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point

    • 152.77 ˚C est.

  • Synonyms

    • alpha-Heptylcinnamaldehyde
    • Nonanal, 2-(phenylmethylene)-
    • 20175-19-3
    • DTXSID2066563
    • Heptylcinnamaldehyde
    • a-heptylcinnamaldehyde
    • alpha-heptyl cinnamaldehyde
    • SCHEMBL9019322
    • DTXCID0036213

  • Applications

    Nonanal, 2-(phenylmethylene)- (CAS 20175-19-3) is primarily used as an odorant and fragrance intermediate in the fragrance industry and perfumery, providing aldehydic notes and serving as a building block for more complex aroma compounds; in cosmetics and personal care, it may be used as a fragrance ingredient or fragrance solvent; in household products and cleaners, it can act as a scent additive to enhance consumer perception; in industrial manufacturing, it can function as an intermediate for the synthesis of aroma chemicals and related fine chemicals; in the flavor industry, it may be evaluated for use as a flavoring agent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2561.83
    methanol 2187.12
    isopropanol 1648.13
    water 0.04
    ethyl acetate 5635.4
    n-propanol 2150.82
    acetone 6204.5
    n-butanol 1776.5
    acetonitrile 3174.76
    DMF 4844.26
    toluene 1719.71
    isobutanol 1304.67
    1,4-dioxane 3098.67
    methyl acetate 3273.47
    THF 3468.49
    2-butanone 4359.63
    n-pentanol 931.8
    sec-butanol 1255.46
    n-hexane 166.61
    ethylene glycol 128.71
    NMP 2247.44
    cyclohexane 300.46
    DMSO 3943.38
    n-butyl acetate 2385.49
    n-octanol 238.12
    chloroform 5986.52
    n-propyl acetate 2324.17
    acetic acid 1055.58
    dichloromethane 8379.78
    cyclohexanone 4351.6
    propylene glycol 303.61
    isopropyl acetate 2514.44
    DMAc 2832.95
    2-ethoxyethanol 1224.75
    isopentanol 1299.58
    n-heptane 78.59
    ethyl formate 1632.76
    1,2-dichloroethane 7422.65
    n-hexanol 925.03
    2-methoxyethanol 2386.89
    isobutyl acetate 1132.02
    tetrachloromethane 535.99
    n-pentyl acetate 959.38
    transcutol 5717.24
    n-heptanol 283.23
    ethylbenzene 653.89
    MIBK 1681.2
    2-propoxyethanol 1512.44
    tert-butanol 1371.54
    MTBE 2288.01
    2-butoxyethanol 681.19
    propionic acid 1179.05
    o-xylene 608.3
    formic acid 172.64
    diethyl ether 4244.15
    m-xylene 783.1
    p-xylene 645.82
    chlorobenzene 2071.2
    dimethyl carbonate 885.13
    n-octane 31.8
    formamide 545.35
    cyclopentanone 4129.48
    2-pentanone 4093.33
    anisole 1335.97
    cyclopentyl methyl ether 2309.28
    gamma-butyrolactone 3553.5
    1-methoxy-2-propanol 1878.78
    pyridine 4019.74
    3-pentanone 2643.35
    furfural 2305.06
    n-dodecane 21.35
    diethylene glycol 668.44
    diisopropyl ether 722.35
    tert-amyl alcohol 994.41
    acetylacetone 3212.45
    n-hexadecane 26.11
    acetophenone 1187.77
    methyl propionate 3434.33
    isopentyl acetate 1788.93
    trichloroethylene 9642.82
    n-nonanol 225.33
    cyclohexanol 1235.89
    benzyl alcohol 816.32
    2-ethylhexanol 559.06
    isooctanol 263.13
    dipropyl ether 1238.54
    1,2-dichlorobenzene 1643.06
    ethyl lactate 489.69
    propylene carbonate 1768.25
    n-methylformamide 1892.91
    2-pentanol 1142.62
    n-pentane 131.96
    1-propoxy-2-propanol 1241.32
    1-methoxy-2-propyl acetate 1736.76
    2-(2-methoxypropoxy) propanol 589.39
    mesitylene 402.62
    ε-caprolactone 2757.37
    p-cymene 250.12
    epichlorohydrin 5625.73
    1,1,1-trichloroethane 3979.7
    2-aminoethanol 496.45
    morpholine-4-carbaldehyde 2083.33
    sulfolane 3296.31
    2,2,4-trimethylpentane 61.98
    2-methyltetrahydrofuran 3109.15
    n-hexyl acetate 1043.66
    isooctane 57.45
    2-(2-butoxyethoxy)ethanol 957.61
    sec-butyl acetate 1342.49
    tert-butyl acetate 1857.58
    decalin 121.07
    glycerin 285.65
    diglyme 2220.9
    acrylic acid 729.79
    isopropyl myristate 333.97
    n-butyric acid 2421.99
    acetyl acetate 1753.58
    di(2-ethylhexyl) phthalate 234.97
    ethyl propionate 1957.51
    nitromethane 3313.07
    1,2-diethoxyethane 2535.1
    benzonitrile 1381.45
    trioctyl phosphate 169.95
    1-bromopropane 3807.7
    gamma-valerolactone 4137.34
    n-decanol 159.47
    triethyl phosphate 367.1
    4-methyl-2-pentanol 477.46
    propionitrile 2401.31
    vinylene carbonate 1556.82
    1,1,2-trichlorotrifluoroethane 2008.49
    DMS 950.18
    cumene 315.77
    2-octanol 194.07
    2-hexanone 1985.39
    octyl acetate 389.79
    limonene 411.2
    1,2-dimethoxyethane 2479.54
    ethyl orthosilicate 359.72
    tributyl phosphate 259.54
    diacetone alcohol 1382.03
    N,N-dimethylaniline 597.23
    acrylonitrile 2517.91
    aniline 1494.29
    1,3-propanediol 851.61
    bromobenzene 2448.46
    dibromomethane 5095.88
    1,1,2,2-tetrachloroethane 6919.29
    2-methyl-cyclohexyl acetate 671.19
    tetrabutyl urea 352.33
    diisobutyl methanol 304.97
    2-phenylethanol 708.28
    styrene 1050.05
    dioctyl adipate 462.9
    dimethyl sulfate 1042.18
    ethyl butyrate 1479.12
    methyl lactate 665.18
    butyl lactate 567.02
    diethyl carbonate 757.73
    propanediol butyl ether 502.61
    triethyl orthoformate 710.96
    p-tert-butyltoluene 227.58
    methyl 4-tert-butylbenzoate 563.82
    morpholine 4205.3
    tert-butylamine 825.82
    n-dodecanol 117.9
    dimethoxymethane 3252.8
    ethylene carbonate 1447.01
    cyrene 467.48
    2-ethoxyethyl acetate 1421.94
    2-ethylhexyl acetate 1257.62
    1,2,4-trichlorobenzene 1790.07
    4-methylpyridine 3811.43
    dibutyl ether 861.72
    2,6-dimethyl-4-heptanol 304.97
    DEF 3705.47
    dimethyl isosorbide 1073.15
    tetrachloroethylene 3677.71
    eugenol 535.12
    triacetin 836.36
    span 80 443.13
    1,4-butanediol 272.63
    1,1-dichloroethane 6026.7
    2-methyl-1-pentanol 780.76
    methyl formate 1158.58
    2-methyl-1-butanol 1195.77
    n-decane 40.4
    butyronitrile 2531.74
    3,7-dimethyl-1-octanol 337.99
    1-chlorooctane 289.23
    1-chlorotetradecane 89.25
    n-nonane 40.41
    undecane 27.92
    tert-butylcyclohexane 100.1
    cyclooctane 73.58
    cyclopentanol 938.01
    tetrahydropyran 4467.95
    tert-amyl methyl ether 1284.17
    2,5,8-trioxanonane 1137.41
    1-hexene 991.8
    2-isopropoxyethanol 851.94
    2,2,2-trifluoroethanol 274.38
    methyl butyrate 2684.14

    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