4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1226911-69-8

    Molecular formula
    C13H16O

    SMILES
    CC1=CC=C(C=C1)/C=C(\C)/CCC=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 85.53%
    Sweet 59.71%
    Green 56.24%
    Fresh 49.8%
    Aldehydic 48.62%
    Lily 45.34%
    Powdery 39.87%
    Balsamic 38.97%
    Fruity 38.43%
    Muguet 37.35%

     

    Flavor
    Green 53.64%
    Floral 46.38%
    Spicy 45.79%
    Fresh 44.81%
    Sweet 40.14%
    Herbal 39.26%
    Balsam 31.89%
    Citrus 31.85%
    Bitter 30.67%
    Spice 30.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.26 (weak base)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 133.69 ˚C est.

  • Synonyms

    • 4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-
    • 1226911-69-8
    • DTXSID60889277
    • (4E)-4-methyl-5-(4-methylphenyl)-4-pentenal
    • RefChem:526244
    • DTXCID501028541
    • 700-748-4
    • (4E)-4-methyl-5-(4-methylphenyl)pent-4-enal
    • SCHEMBL2243080
    • 1226911-69-8

  • Applications

    Chemical name: 4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-; CAS number: 1226911-69-8. It is used as an intermediate and fragrance component in the fragrance industry, commonly employed as a building block for aroma compounds and other complex fragrance ingredients; it may also serve as a precursor in flavor chemistry for aroma-active compounds in foods and beverages under appropriate regulatory control. In cosmetics and personal care, it can provide an additional scent source in formulations such as perfumes, lotions, and cleaners, subject to regulatory limits; in household and cleaning products, it can be included as a fragrance additive for odor profiles in air fresheners and cleaning agents. In polymers/plastics and coatings, it may function as a reactive intermediate or fragrance-bearing monomer for specialty materials; in pharmaceuticals, it may be evaluated as a synthetic intermediate for the preparation of aromatic compounds used in drug development. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 442.78
    methanol 422.84
    isopropanol 255.06
    water 0.22
    ethyl acetate 745.16
    n-propanol 340.06
    acetone 676.41
    n-butanol 293.0
    acetonitrile 478.06
    DMF 580.35
    toluene 267.17
    isobutanol 183.13
    1,4-dioxane 1072.52
    methyl acetate 637.29
    THF 664.17
    2-butanone 669.16
    n-pentanol 238.05
    sec-butanol 210.37
    n-hexane 46.86
    ethylene glycol 92.91
    NMP 241.06
    cyclohexane 32.51
    DMSO 505.21
    n-butyl acetate 383.68
    n-octanol 72.06
    chloroform 1118.56
    n-propyl acetate 331.09
    acetic acid 243.97
    dichloromethane 883.92
    cyclohexanone 467.19
    propylene glycol 168.83
    isopropyl acetate 353.75
    DMAc 590.75
    2-ethoxyethanol 461.85
    isopentanol 242.59
    n-heptane 16.64
    ethyl formate 230.33
    1,2-dichloroethane 783.5
    n-hexanol 263.84
    2-methoxyethanol 599.55
    isobutyl acetate 230.37
    tetrachloromethane 94.97
    n-pentyl acetate 153.27
    transcutol 2098.64
    n-heptanol 85.82
    ethylbenzene 156.68
    MIBK 266.61
    2-propoxyethanol 514.55
    tert-butanol 349.99
    MTBE 476.78
    2-butoxyethanol 218.04
    propionic acid 235.99
    o-xylene 131.06
    formic acid 77.77
    diethyl ether 731.77
    m-xylene 152.17
    p-xylene 160.16
    chlorobenzene 274.69
    dimethyl carbonate 177.89
    n-octane 7.51
    formamide 139.86
    cyclopentanone 445.13
    2-pentanone 450.7
    anisole 404.79
    cyclopentyl methyl ether 318.57
    gamma-butyrolactone 412.6
    1-methoxy-2-propanol 435.14
    pyridine 640.11
    3-pentanone 396.18
    furfural 430.91
    n-dodecane 6.05
    diethylene glycol 343.23
    diisopropyl ether 139.56
    tert-amyl alcohol 250.26
    acetylacetone 465.4
    n-hexadecane 7.27
    acetophenone 272.03
    methyl propionate 476.6
    isopentyl acetate 344.32
    trichloroethylene 1239.06
    n-nonanol 70.01
    cyclohexanol 167.13
    benzyl alcohol 241.23
    2-ethylhexanol 145.64
    isooctanol 76.23
    dipropyl ether 228.02
    1,2-dichlorobenzene 244.61
    ethyl lactate 133.76
    propylene carbonate 238.31
    n-methylformamide 246.91
    2-pentanol 177.52
    n-pentane 22.37
    1-propoxy-2-propanol 327.76
    1-methoxy-2-propyl acetate 404.49
    2-(2-methoxypropoxy) propanol 270.22
    mesitylene 92.63
    ε-caprolactone 386.47
    p-cymene 72.28
    epichlorohydrin 849.34
    1,1,1-trichloroethane 527.87
    2-aminoethanol 207.76
    morpholine-4-carbaldehyde 513.06
    sulfolane 379.65
    2,2,4-trimethylpentane 17.63
    2-methyltetrahydrofuran 479.72
    n-hexyl acetate 222.39
    isooctane 15.75
    2-(2-butoxyethoxy)ethanol 387.9
    sec-butyl acetate 253.48
    tert-butyl acetate 351.47
    decalin 32.64
    glycerin 201.31
    diglyme 749.32
    acrylic acid 194.66
    isopropyl myristate 91.73
    n-butyric acid 321.93
    acetyl acetate 302.91
    di(2-ethylhexyl) phthalate 89.37
    ethyl propionate 305.39
    nitromethane 501.52
    1,2-diethoxyethane 634.62
    benzonitrile 252.78
    trioctyl phosphate 53.45
    1-bromopropane 414.07
    gamma-valerolactone 637.72
    n-decanol 54.28
    triethyl phosphate 110.87
    4-methyl-2-pentanol 121.25
    propionitrile 380.26
    vinylene carbonate 242.3
    1,1,2-trichlorotrifluoroethane 471.51
    DMS 265.63
    cumene 103.09
    2-octanol 51.1
    2-hexanone 335.01
    octyl acetate 104.74
    limonene 97.52
    1,2-dimethoxyethane 695.34
    ethyl orthosilicate 111.74
    tributyl phosphate 83.59
    diacetone alcohol 326.57
    N,N-dimethylaniline 209.08
    acrylonitrile 403.79
    aniline 289.65
    1,3-propanediol 255.51
    bromobenzene 289.11
    dibromomethane 602.59
    1,1,2,2-tetrachloroethane 920.39
    2-methyl-cyclohexyl acetate 183.53
    tetrabutyl urea 96.67
    diisobutyl methanol 88.84
    2-phenylethanol 230.39
    styrene 213.05
    dioctyl adipate 135.04
    dimethyl sulfate 199.88
    ethyl butyrate 246.87
    methyl lactate 159.56
    butyl lactate 134.1
    diethyl carbonate 169.86
    propanediol butyl ether 198.78
    triethyl orthoformate 167.12
    p-tert-butyltoluene 74.58
    methyl 4-tert-butylbenzoate 187.85
    morpholine 1025.04
    tert-butylamine 203.13
    n-dodecanol 42.93
    dimethoxymethane 489.69
    ethylene carbonate 205.39
    cyrene 182.82
    2-ethoxyethyl acetate 331.08
    2-ethylhexyl acetate 259.29
    1,2,4-trichlorobenzene 309.0
    4-methylpyridine 529.61
    dibutyl ether 173.56
    2,6-dimethyl-4-heptanol 88.84
    DEF 433.31
    dimethyl isosorbide 370.84
    tetrachloroethylene 536.96
    eugenol 197.92
    triacetin 247.13
    span 80 177.47
    1,4-butanediol 121.98
    1,1-dichloroethane 640.33
    2-methyl-1-pentanol 210.94
    methyl formate 178.35
    2-methyl-1-butanol 205.79
    n-decane 10.33
    butyronitrile 315.39
    3,7-dimethyl-1-octanol 109.23
    1-chlorooctane 65.67
    1-chlorotetradecane 25.01
    n-nonane 9.9
    undecane 7.62
    tert-butylcyclohexane 35.21
    cyclooctane 12.4
    cyclopentanol 125.76
    tetrahydropyran 699.36
    tert-amyl methyl ether 290.41
    2,5,8-trioxanonane 457.89
    1-hexene 225.99
    2-isopropoxyethanol 326.65
    2,2,2-trifluoroethanol 76.08
    methyl butyrate 349.47

    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