2-((4-Methylphenyl)methylene)heptan-1-al

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  • Identifiers

    CAS number
    154581-97-2

    Molecular formula
    C15H20O

    SMILES
    CCCCC/C(=C\C1=CC=C(C=C1)C)/C=O

  • Odor profile

    Fragrance
    Floral 85.15%
    Green 83.19%
    Fruity 61.53%
    Jasmin 54.39%
    Herbal 51.75%
    Sweet 50.49%
    Fresh 46.34%
    Waxy 41.74%
    Aldehydic 41.13%
    Tropical 38.82%

     

    Flavor
    Herbal 55.13%
    Floral 47.56%
    Fresh 44.95%
    Green 43.6%
    Spicy 38.57%
    Waxy 34.94%
    Jasmin 32.89%
    Woody 28.44%
    Oily 27.76%
    Balsam 26.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.29 (weak base)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 145.08 ˚C est.

  • Synonyms

    • EINECS 283-718-9
    • 2-((4-Methylphenyl)methylene)heptan-1-al
    • 2-[(4-METHYLPHENYL)METHYLENE]HEPTAN-1-AL
    • SCHEMBL229743
    • DTXSID301036007
    • 154581-97-2
    • (2E)-2-[(4-Methylphenyl)methylene]heptanal

  • Applications

    2-((4-Methylphenyl)methylene)heptan-1-al, CAS 154581-97-2, is primarily used as a fragrance ingredient and synthetic intermediate in the fragrance industry; it can function as a fixative to extend scent longevity and as a precursor to various aroma derivatives. In cosmetics and personal care, it may be employed as a fragrance component. In household products and cleaning formulations, it can contribute a distinctive aroma. In coatings and printing inks, it can be added to impart fragrance in decorative finishes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1753.11
    methanol 1384.23
    isopropanol 942.94
    water 0.04
    ethyl acetate 4344.41
    n-propanol 1501.25
    acetone 2645.52
    n-butanol 1300.98
    acetonitrile 2024.97
    DMF 2419.97
    toluene 1439.08
    isobutanol 864.33
    1,4-dioxane 2443.01
    methyl acetate 2387.58
    THF 1925.18
    2-butanone 3054.28
    n-pentanol 711.65
    sec-butanol 927.01
    n-hexane 119.83
    ethylene glycol 102.93
    NMP 1010.48
    cyclohexane 141.98
    DMSO 1483.36
    n-butyl acetate 1733.38
    n-octanol 152.32
    chloroform 4022.0
    n-propyl acetate 1583.57
    acetic acid 601.8
    dichloromethane 5111.35
    cyclohexanone 2352.01
    propylene glycol 253.77
    isopropyl acetate 1961.58
    DMAc 1867.14
    2-ethoxyethanol 1077.04
    isopentanol 951.96
    n-heptane 37.25
    ethyl formate 927.51
    1,2-dichloroethane 4570.41
    n-hexanol 756.41
    2-methoxyethanol 1887.48
    isobutyl acetate 812.05
    tetrachloromethane 294.71
    n-pentyl acetate 584.39
    transcutol 5033.89
    n-heptanol 194.16
    ethylbenzene 548.36
    MIBK 1082.06
    2-propoxyethanol 1317.29
    tert-butanol 912.67
    MTBE 1944.98
    2-butoxyethanol 490.63
    propionic acid 719.43
    o-xylene 467.67
    formic acid 130.88
    diethyl ether 3528.35
    m-xylene 625.01
    p-xylene 507.68
    chlorobenzene 1374.76
    dimethyl carbonate 621.16
    n-octane 16.4
    formamide 389.84
    cyclopentanone 1982.72
    2-pentanone 2605.21
    anisole 1116.55
    cyclopentyl methyl ether 1380.88
    gamma-butyrolactone 1687.05
    1-methoxy-2-propanol 1348.93
    pyridine 2829.07
    3-pentanone 1941.67
    furfural 1304.44
    n-dodecane 11.43
    diethylene glycol 636.03
    diisopropyl ether 614.33
    tert-amyl alcohol 787.88
    acetylacetone 2098.56
    n-hexadecane 14.18
    acetophenone 864.89
    methyl propionate 2474.18
    isopentyl acetate 1392.79
    trichloroethylene 6271.29
    n-nonanol 148.57
    cyclohexanol 738.37
    benzyl alcohol 674.89
    2-ethylhexanol 422.41
    isooctanol 179.41
    dipropyl ether 793.7
    1,2-dichlorobenzene 1065.93
    ethyl lactate 346.88
    propylene carbonate 916.1
    n-methylformamide 1061.16
    2-pentanol 824.8
    n-pentane 85.16
    1-propoxy-2-propanol 979.76
    1-methoxy-2-propyl acetate 1496.38
    2-(2-methoxypropoxy) propanol 521.36
    mesitylene 306.63
    ε-caprolactone 1711.06
    p-cymene 180.5
    epichlorohydrin 3492.79
    1,1,1-trichloroethane 2395.92
    2-aminoethanol 421.25
    morpholine-4-carbaldehyde 1371.8
    sulfolane 1362.21
    2,2,4-trimethylpentane 47.59
    2-methyltetrahydrofuran 1905.3
    n-hexyl acetate 680.41
    isooctane 43.91
    2-(2-butoxyethoxy)ethanol 815.75
    sec-butyl acetate 1078.72
    tert-butyl acetate 1487.86
    decalin 87.48
    glycerin 255.3
    diglyme 1752.04
    acrylic acid 473.99
    isopropyl myristate 233.77
    n-butyric acid 1450.07
    acetyl acetate 1258.46
    di(2-ethylhexyl) phthalate 179.7
    ethyl propionate 1411.98
    nitromethane 1773.2
    1,2-diethoxyethane 2164.7
    benzonitrile 960.86
    trioctyl phosphate 114.97
    1-bromopropane 2454.78
    gamma-valerolactone 2311.59
    n-decanol 110.64
    triethyl phosphate 265.34
    4-methyl-2-pentanol 363.04
    propionitrile 1640.15
    vinylene carbonate 835.14
    1,1,2-trichlorotrifluoroethane 1298.07
    DMS 775.94
    cumene 262.61
    2-octanol 126.31
    2-hexanone 1320.79
    octyl acetate 264.87
    limonene 277.0
    1,2-dimethoxyethane 1839.36
    ethyl orthosilicate 270.19
    tributyl phosphate 186.74
    diacetone alcohol 1071.33
    N,N-dimethylaniline 493.22
    acrylonitrile 1680.97
    aniline 1111.36
    1,3-propanediol 624.17
    bromobenzene 1623.66
    dibromomethane 3171.86
    1,1,2,2-tetrachloroethane 4358.95
    2-methyl-cyclohexyl acetate 489.8
    tetrabutyl urea 231.95
    diisobutyl methanol 227.97
    2-phenylethanol 625.62
    styrene 826.69
    dioctyl adipate 322.52
    dimethyl sulfate 616.37
    ethyl butyrate 1034.14
    methyl lactate 461.16
    butyl lactate 361.64
    diethyl carbonate 545.52
    propanediol butyl ether 376.28
    triethyl orthoformate 504.54
    p-tert-butyltoluene 174.56
    methyl 4-tert-butylbenzoate 407.74
    morpholine 3440.23
    tert-butylamine 597.77
    n-dodecanol 83.22
    dimethoxymethane 2259.44
    ethylene carbonate 772.76
    cyrene 355.13
    2-ethoxyethyl acetate 1077.68
    2-ethylhexyl acetate 979.6
    1,2,4-trichlorobenzene 1199.12
    4-methylpyridine 2715.9
    dibutyl ether 548.28
    2,6-dimethyl-4-heptanol 227.97
    DEF 2609.22
    dimethyl isosorbide 853.06
    tetrachloroethylene 2338.62
    eugenol 412.54
    triacetin 563.26
    span 80 351.21
    1,4-butanediol 214.31
    1,1-dichloroethane 3627.33
    2-methyl-1-pentanol 670.21
    methyl formate 602.32
    2-methyl-1-butanol 925.73
    n-decane 21.16
    butyronitrile 1621.03
    3,7-dimethyl-1-octanol 252.04
    1-chlorooctane 176.0
    1-chlorotetradecane 58.73
    n-nonane 20.32
    undecane 14.94
    tert-butylcyclohexane 77.6
    cyclooctane 43.34
    cyclopentanol 447.74
    tetrahydropyran 2838.27
    tert-amyl methyl ether 1110.59
    2,5,8-trioxanonane 972.64
    1-hexene 776.38
    2-isopropoxyethanol 744.66
    2,2,2-trifluoroethanol 144.81
    methyl butyrate 1770.31

    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