Benzenepropanal, alpha,alpha-dimethyl-

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  • Identifiers

    CAS number
    1009-62-7

    Molecular formula
    C11H14O

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

  • Odor profile

    Fragrance
    Floral 91.51%
    Fresh 64.89%
    Aldehydic 63.08%
    Lily 59.22%
    Muguet 58.86%
    Green 55.78%
    Ozone 53.0%
    Citrus 37.39%
    Rose 34.15%
    Herbal 32.75%

     

    Flavor
    Green 67.23%
    Floral 62.16%
    Bitter 40.41%
    Rose 39.21%
    Fruity 38.89%
    Sweet 35.32%
    Fresh 32.41%
    Citrus 31.36%
    Leaf 31.03%
    Herbal 30.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.68 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 97.0 ˚C est.

  • Synonyms

    • 2,2-dimethyl-3-phenylpropanal
    • 1009-62-7
    • Benzenepropanal, alpha,alpha-dimethyl-
    • 2,2-Dimethyl-3-phenylpropionaldehyde
    • AI3-28154
    • Benzenepropanal, .alpha.,.alpha.-dimethyl-
    • EINECS 213-771-5
    • DTXSID0061408
    • 2,2-dimethyl-3-phenyl-propanal
    • SCHEMBL96457
    • DTXCID1032565
    • 2,2-dimethyl-3-phenyl-propionaldehyde
    • AKOS015889555
    • NS00012331
    • EN300-76570
    • F2147-6116
    • Z1188488760
    • 213-771-5

  • Applications

    Benzenepropanal, alpha,alpha-dimethyl- (CAS 1009-62-7) is typically used as an odorant and fragrance intermediate, and as a chemical precursor in the synthesis of aromatic compounds for perfumery and flavor-related applications; it may also serve as a building block for specialty polymers and coatings formulations in industrial manufacturing; in coatings and inks it can function as a fragrance additive to shape aroma profiles, while in cosmetics/personal care and in household products it contributes to scent profiles. Its use is generally evaluated within fragrance and flavor supply chains and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 570.44
    methanol 454.84
    isopropanol 456.33
    water 1.22
    ethyl acetate 720.08
    n-propanol 499.45
    acetone 820.64
    n-butanol 489.92
    acetonitrile 697.03
    DMF 801.03
    toluene 367.87
    isobutanol 399.27
    1,4-dioxane 621.57
    methyl acetate 682.27
    THF 878.95
    2-butanone 810.29
    n-pentanol 337.19
    sec-butanol 425.04
    n-hexane 97.91
    ethylene glycol 130.8
    NMP 605.69
    cyclohexane 88.67
    DMSO 539.6
    n-butyl acetate 889.16
    n-octanol 251.88
    chloroform 1691.76
    n-propyl acetate 523.85
    acetic acid 412.75
    dichloromethane 1626.78
    cyclohexanone 844.6
    propylene glycol 227.18
    isopropyl acetate 419.12
    DMAc 561.45
    2-ethoxyethanol 431.25
    isopentanol 455.2
    n-heptane 110.71
    ethyl formate 588.56
    1,2-dichloroethane 919.69
    n-hexanol 637.99
    2-methoxyethanol 596.46
    isobutyl acetate 355.36
    tetrachloromethane 225.47
    n-pentyl acetate 300.34
    transcutol 1274.84
    n-heptanol 252.38
    ethylbenzene 277.15
    MIBK 438.0
    2-propoxyethanol 726.11
    tert-butanol 508.4
    MTBE 487.7
    2-butoxyethanol 385.9
    propionic acid 464.64
    o-xylene 270.5
    formic acid 151.59
    diethyl ether 488.26
    m-xylene 323.54
    p-xylene 302.3
    chlorobenzene 479.45
    dimethyl carbonate 247.83
    n-octane 39.07
    formamide 233.62
    cyclopentanone 941.88
    2-pentanone 666.94
    anisole 532.46
    cyclopentyl methyl ether 512.84
    gamma-butyrolactone 991.7
    1-methoxy-2-propanol 525.03
    pyridine 627.82
    3-pentanone 484.42
    furfural 910.7
    n-dodecane 29.78
    diethylene glycol 412.57
    diisopropyl ether 186.77
    tert-amyl alcohol 434.53
    acetylacetone 593.91
    n-hexadecane 33.21
    acetophenone 452.51
    methyl propionate 565.12
    isopentyl acetate 707.75
    trichloroethylene 1818.1
    n-nonanol 206.97
    cyclohexanol 371.63
    benzyl alcohol 332.49
    2-ethylhexanol 410.75
    isooctanol 205.92
    dipropyl ether 507.38
    1,2-dichlorobenzene 469.46
    ethyl lactate 259.7
    propylene carbonate 726.93
    n-methylformamide 514.93
    2-pentanol 361.54
    n-pentane 74.36
    1-propoxy-2-propanol 639.06
    1-methoxy-2-propyl acetate 585.06
    2-(2-methoxypropoxy) propanol 395.82
    mesitylene 205.09
    ε-caprolactone 668.8
    p-cymene 220.94
    epichlorohydrin 1113.31
    1,1,1-trichloroethane 918.09
    2-aminoethanol 282.74
    morpholine-4-carbaldehyde 694.34
    sulfolane 892.84
    2,2,4-trimethylpentane 53.17
    2-methyltetrahydrofuran 686.74
    n-hexyl acetate 450.25
    isooctane 55.55
    2-(2-butoxyethoxy)ethanol 482.1
    sec-butyl acetate 354.87
    tert-butyl acetate 461.69
    decalin 80.52
    glycerin 253.61
    diglyme 772.6
    acrylic acid 372.91
    isopropyl myristate 196.49
    n-butyric acid 655.29
    acetyl acetate 367.93
    di(2-ethylhexyl) phthalate 182.62
    ethyl propionate 451.16
    nitromethane 788.56
    1,2-diethoxyethane 523.15
    benzonitrile 513.85
    trioctyl phosphate 142.59
    1-bromopropane 588.4
    gamma-valerolactone 983.51
    n-decanol 164.41
    triethyl phosphate 214.52
    4-methyl-2-pentanol 263.57
    propionitrile 626.53
    vinylene carbonate 608.5
    1,1,2-trichlorotrifluoroethane 659.43
    DMS 325.03
    cumene 225.02
    2-octanol 163.11
    2-hexanone 533.7
    octyl acetate 237.24
    limonene 292.11
    1,2-dimethoxyethane 698.89
    ethyl orthosilicate 208.45
    tributyl phosphate 196.01
    diacetone alcohol 521.42
    N,N-dimethylaniline 367.01
    acrylonitrile 692.93
    aniline 346.43
    1,3-propanediol 339.04
    bromobenzene 517.8
    dibromomethane 1054.83
    1,1,2,2-tetrachloroethane 1298.54
    2-methyl-cyclohexyl acetate 393.2
    tetrabutyl urea 228.66
    diisobutyl methanol 246.76
    2-phenylethanol 368.85
    styrene 316.69
    dioctyl adipate 283.88
    dimethyl sulfate 326.54
    ethyl butyrate 556.91
    methyl lactate 289.96
    butyl lactate 288.65
    diethyl carbonate 362.65
    propanediol butyl ether 376.79
    triethyl orthoformate 320.29
    p-tert-butyltoluene 219.61
    methyl 4-tert-butylbenzoate 376.65
    morpholine 705.65
    tert-butylamine 367.24
    n-dodecanol 133.02
    dimethoxymethane 516.26
    ethylene carbonate 507.43
    cyrene 350.02
    2-ethoxyethyl acetate 393.95
    2-ethylhexyl acetate 526.53
    1,2,4-trichlorobenzene 500.94
    4-methylpyridine 686.8
    dibutyl ether 304.99
    2,6-dimethyl-4-heptanol 246.76
    DEF 597.39
    dimethyl isosorbide 649.6
    tetrachloroethylene 723.95
    eugenol 353.78
    triacetin 388.77
    span 80 328.67
    1,4-butanediol 176.36
    1,1-dichloroethane 1069.18
    2-methyl-1-pentanol 339.99
    methyl formate 459.99
    2-methyl-1-butanol 394.29
    n-decane 48.9
    butyronitrile 733.34
    3,7-dimethyl-1-octanol 284.68
    1-chlorooctane 203.22
    1-chlorotetradecane 83.95
    n-nonane 51.83
    undecane 37.0
    tert-butylcyclohexane 86.3
    cyclooctane 46.84
    cyclopentanol 342.27
    tetrahydropyran 666.06
    tert-amyl methyl ether 370.96
    2,5,8-trioxanonane 538.09
    1-hexene 334.83
    2-isopropoxyethanol 341.98
    2,2,2-trifluoroethanol 166.56
    methyl butyrate 598.93

    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