2-(ar-Ethylphenyl)butyraldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68228-11-5

    Molecular formula
    C12H16O

    SMILES
    CCC1=CC(=CC=C1)C(CC)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 84.31%
    Floral 54.53%
    Fruity 47.74%
    Fresh 43.86%
    Aldehydic 40.2%
    Herbal 38.08%
    Leafy 35.98%
    Woody 34.97%
    Earthy 33.06%
    Cortex 32.38%

     

    Flavor
    Green 78.59%
    Floral 56.99%
    Fresh 50.69%
    Waxy 43.16%
    Sweet 41.05%
    Leaf 37.56%
    Herbal 34.86%
    Rose 31.35%
    Cocoa 31.21%
    Oily 30.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.17 (neutral)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 111.47 ˚C est.

  • Synonyms

    • 2-(ar-Ethylphenyl)butyraldehyde
    • Benzeneacetaldehyde, ar,alpha-diethyl-
    • 68228-11-5
    • EINECS 269-407-0
    • Benzeneacetaldehyde, alpha(ar)-diethyl-
    • Benzeneacetaldehyde, ar,.alpha.-diethyl-
    • DTXSID701015059
    • RefChem:459632
    • DTXCID50815722
    • 269-407-0
    • 2-(3-ethylphenyl)butanal
    • SCHEMBL14879623
    • MNQKBKLEKUBHOG-UHFFFAOYSA-N
    • NS00011993
    • 68228-11-5

  • Applications

    2-(ar-Ethylphenyl)butyraldehyde (CAS 68228-11-5) is primarily used as a synthetic intermediate in fragrance chemistry, where it serves as a building block for aroma compounds and for generating specialized fragrance ingredients. It is commonly evaluated as a precursor in cosmetics and personal care formulations to furnish fragrance components. In household and cleaning products, it can be used to develop desired scent profiles as part of fragrance systems. In coatings and inks, it is employed as an aromatic aldehyde intermediate to introduce fragrance notes or as a reactive building block. In polymers and plastics, it may participate as a functionalized aldehyde for crosslinking or as a precursor to aromatic polymers. The use of this compound is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4932.42
    methanol 4942.03
    isopropanol 3536.2
    water 0.44
    ethyl acetate 6059.6
    n-propanol 4476.43
    acetone 8899.27
    n-butanol 3446.76
    acetonitrile 10144.45
    DMF 8784.47
    toluene 2456.11
    isobutanol 2861.29
    1,4-dioxane 6137.51
    methyl acetate 5814.15
    THF 5421.65
    2-butanone 6283.18
    n-pentanol 1758.76
    sec-butanol 2470.99
    n-hexane 298.22
    ethylene glycol 363.2
    NMP 4493.54
    cyclohexane 620.89
    DMSO 6093.63
    n-butyl acetate 3495.09
    n-octanol 444.23
    chloroform 11489.85
    n-propyl acetate 2850.46
    acetic acid 2205.11
    dichloromethane 15724.02
    cyclohexanone 7417.45
    propylene glycol 509.61
    isopropyl acetate 2285.36
    DMAc 2912.7
    2-ethoxyethanol 1809.93
    isopentanol 2118.57
    n-heptane 133.23
    ethyl formate 3610.99
    1,2-dichloroethane 11823.42
    n-hexanol 2008.38
    2-methoxyethanol 3658.9
    isobutyl acetate 1222.21
    tetrachloromethane 1562.74
    n-pentyl acetate 1083.13
    transcutol 4606.26
    n-heptanol 492.42
    ethylbenzene 947.13
    MIBK 1647.69
    2-propoxyethanol 2507.2
    tert-butanol 2681.71
    MTBE 2891.7
    2-butoxyethanol 899.64
    propionic acid 2712.71
    o-xylene 913.55
    formic acid 502.17
    diethyl ether 5023.33
    m-xylene 1145.45
    p-xylene 997.91
    chlorobenzene 3667.51
    dimethyl carbonate 1252.27
    n-octane 53.38
    formamide 1604.76
    cyclopentanone 6751.21
    2-pentanone 4675.83
    anisole 1837.69
    cyclopentyl methyl ether 3188.74
    gamma-butyrolactone 7149.01
    1-methoxy-2-propanol 2281.15
    pyridine 6683.18
    3-pentanone 3362.12
    furfural 4060.3
    n-dodecane 37.47
    diethylene glycol 1131.69
    diisopropyl ether 789.91
    tert-amyl alcohol 1760.92
    acetylacetone 3081.86
    n-hexadecane 46.39
    acetophenone 1366.77
    methyl propionate 4262.34
    isopentyl acetate 2120.68
    trichloroethylene 15644.21
    n-nonanol 360.4
    cyclohexanol 2537.52
    benzyl alcohol 1258.03
    2-ethylhexanol 882.62
    isooctanol 379.37
    dipropyl ether 1445.05
    1,2-dichlorobenzene 2495.08
    ethyl lactate 560.09
    propylene carbonate 3102.8
    n-methylformamide 5640.16
    2-pentanol 1806.24
    n-pentane 278.27
    1-propoxy-2-propanol 1641.25
    1-methoxy-2-propyl acetate 1789.44
    2-(2-methoxypropoxy) propanol 598.78
    mesitylene 565.32
    ε-caprolactone 4878.07
    p-cymene 353.25
    epichlorohydrin 8364.71
    1,1,1-trichloroethane 7074.22
    2-aminoethanol 1065.45
    morpholine-4-carbaldehyde 3502.84
    sulfolane 5156.62
    2,2,4-trimethylpentane 99.15
    2-methyltetrahydrofuran 5079.78
    n-hexyl acetate 1320.53
    isooctane 87.22
    2-(2-butoxyethoxy)ethanol 1031.63
    sec-butyl acetate 1342.18
    tert-butyl acetate 1684.75
    decalin 196.22
    glycerin 501.1
    diglyme 2383.65
    acrylic acid 1853.96
    isopropyl myristate 394.94
    n-butyric acid 4026.73
    acetyl acetate 1813.01
    di(2-ethylhexyl) phthalate 290.25
    ethyl propionate 2186.28
    nitromethane 6548.99
    1,2-diethoxyethane 2343.88
    benzonitrile 2524.69
    trioctyl phosphate 233.21
    1-bromopropane 5883.56
    gamma-valerolactone 6528.95
    n-decanol 262.93
    triethyl phosphate 396.37
    4-methyl-2-pentanol 632.38
    propionitrile 6274.15
    vinylene carbonate 3023.15
    1,1,2-trichlorotrifluoroethane 2716.54
    DMS 1084.88
    cumene 441.58
    2-octanol 327.8
    2-hexanone 2611.44
    octyl acetate 509.53
    limonene 599.21
    1,2-dimethoxyethane 3821.73
    ethyl orthosilicate 395.33
    tributyl phosphate 338.53
    diacetone alcohol 1429.37
    N,N-dimethylaniline 776.45
    acrylonitrile 6720.69
    aniline 2718.47
    1,3-propanediol 1705.14
    bromobenzene 4054.36
    dibromomethane 9549.18
    1,1,2,2-tetrachloroethane 9567.93
    2-methyl-cyclohexyl acetate 753.61
    tetrabutyl urea 431.66
    diisobutyl methanol 404.16
    2-phenylethanol 1156.56
    styrene 1527.8
    dioctyl adipate 520.59
    dimethyl sulfate 1365.26
    ethyl butyrate 1744.73
    methyl lactate 778.74
    butyl lactate 647.99
    diethyl carbonate 948.7
    propanediol butyl ether 684.75
    triethyl orthoformate 787.06
    p-tert-butyltoluene 311.91
    methyl 4-tert-butylbenzoate 627.49
    morpholine 7590.21
    tert-butylamine 1697.25
    n-dodecanol 195.48
    dimethoxymethane 3814.32
    ethylene carbonate 2818.69
    cyrene 589.88
    2-ethoxyethyl acetate 1413.5
    2-ethylhexyl acetate 1551.56
    1,2,4-trichlorobenzene 2568.58
    4-methylpyridine 6440.46
    dibutyl ether 934.26
    2,6-dimethyl-4-heptanol 404.16
    DEF 4980.43
    dimethyl isosorbide 1185.33
    tetrachloroethylene 6016.05
    eugenol 628.79
    triacetin 836.77
    span 80 533.2
    1,4-butanediol 548.78
    1,1-dichloroethane 10470.84
    2-methyl-1-pentanol 1237.83
    methyl formate 3538.37
    2-methyl-1-butanol 2094.81
    n-decane 67.84
    butyronitrile 5401.68
    3,7-dimethyl-1-octanol 456.23
    1-chlorooctane 440.77
    1-chlorotetradecane 140.79
    n-nonane 69.89
    undecane 49.43
    tert-butylcyclohexane 163.34
    cyclooctane 141.61
    cyclopentanol 2408.85
    tetrahydropyran 7053.73
    tert-amyl methyl ether 1464.04
    2,5,8-trioxanonane 1156.37
    1-hexene 1547.42
    2-isopropoxyethanol 1090.48
    2,2,2-trifluoroethanol 628.57
    methyl butyrate 3546.54

    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