3-(2-Ethylphenyl)-2,2-dimethylpropanal

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  • Identifiers

    CAS number
    67634-14-4

    Molecular formula
    C13H18O

    SMILES
    CCC1=CC=CC=C1CC(C)(C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 86.41%
    Green 68.48%
    Fresh 65.23%
    Aldehydic 61.74%
    Muguet 60.68%
    Lily 54.95%
    Ozone 51.89%
    Citrus 42.89%
    Herbal 38.44%
    Clean 32.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point est.
    113.02 ˚C

  • Synonyms

    • 3-(2-ethylphenyl)-2,2-dimethylpropanal
    • 67634-14-4
    • EINECS 266-818-7
    • 10A7TH6XID
    • UNII-10A7TH6XID
    • Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-
    • DTXSID8052358
    • Benzenepropanal, 2-ethyl-alpha,alpha-dimethyl-
    • 2-ETHYL-.ALPHA.,.ALPHA.-DIMETHYLBENZENEPROPANAL
    • 2-ethyl-alpha,alpha-dimethylbenzenepropanal
    • para-Ethyl-alpha,alpha-dimethyl-hydrocinnamaldehyde
    • SCHEMBL224916
    • DTXCID2030930
    • ITJHALDCYCTNNJ-UHFFFAOYSA-N
    • NS00012455
    • 266-818-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 914.03
    methanol 563.1
    isopropanol 794.68
    water 0.28
    ethyl acetate 1874.49
    n-propanol 925.15
    acetone 2052.92
    n-butanol 884.67
    acetonitrile 1654.5
    DMF 2049.43
    toluene 1025.29
    isobutanol 755.59
    1,4-dioxane 1485.39
    methyl acetate 1683.55
    THF 2196.8
    2-butanone 2119.04
    n-pentanol 581.63
    sec-butanol 789.81
    n-hexane 194.92
    ethylene glycol 89.63
    NMP 1376.91
    cyclohexane 229.12
    DMSO 1026.23
    n-butyl acetate 1906.68
    n-octanol 388.26
    chloroform 4110.47
    n-propyl acetate 1230.76
    acetic acid 517.93
    dichloromethane 4531.71
    cyclohexanone 2393.7
    propylene glycol 204.22
    isopropyl acetate 969.53
    DMAc 1264.73
    2-ethoxyethanol 634.82
    isopentanol 817.2
    n-heptane 150.77
    ethyl formate 1331.67
    1,2-dichloroethane 2661.53
    n-hexanol 999.64
    2-methoxyethanol 910.1
    isobutyl acetate 724.28
    tetrachloromethane 589.95
    n-pentyl acetate 690.08
    transcutol 1859.03
    n-heptanol 379.22
    ethylbenzene 667.86
    MIBK 863.97
    2-propoxyethanol 1054.08
    tert-butanol 881.17
    MTBE 1106.55
    2-butoxyethanol 566.81
    propionic acid 749.53
    o-xylene 593.35
    formic acid 118.69
    diethyl ether 1247.28
    m-xylene 693.72
    p-xylene 749.47
    chlorobenzene 1334.72
    dimethyl carbonate 481.61
    n-octane 62.22
    formamide 294.69
    cyclopentanone 2527.07
    2-pentanone 1712.86
    anisole 1067.67
    cyclopentyl methyl ether 1191.0
    gamma-butyrolactone 2422.39
    1-methoxy-2-propanol 818.03
    pyridine 1729.77
    3-pentanone 1265.07
    furfural 1774.2
    n-dodecane 41.09
    diethylene glycol 445.03
    diisopropyl ether 385.05
    tert-amyl alcohol 773.44
    acetylacetone 1277.81
    n-hexadecane 49.58
    acetophenone 931.47
    methyl propionate 1355.22
    isopentyl acetate 1394.35
    trichloroethylene 4713.95
    n-nonanol 318.0
    cyclohexanol 730.22
    benzyl alcohol 640.73
    2-ethylhexanol 653.37
    isooctanol 320.79
    dipropyl ether 902.86
    1,2-dichlorobenzene 1111.4
    ethyl lactate 404.18
    propylene carbonate 1519.46
    n-methylformamide 1044.11
    2-pentanol 638.07
    n-pentane 149.55
    1-propoxy-2-propanol 939.35
    1-methoxy-2-propyl acetate 1035.78
    2-(2-methoxypropoxy) propanol 489.54
    mesitylene 409.29
    ε-caprolactone 1767.34
    p-cymene 397.54
    epichlorohydrin 2745.97
    1,1,1-trichloroethane 2496.71
    2-aminoethanol 263.05
    morpholine-4-carbaldehyde 1334.18
    sulfolane 1878.86
    2,2,4-trimethylpentane 83.29
    2-methyltetrahydrofuran 1751.32
    n-hexyl acetate 964.21
    isooctane 77.68
    2-(2-butoxyethoxy)ethanol 648.31
    sec-butyl acetate 763.43
    tert-butyl acetate 877.57
    decalin 154.23
    glycerin 198.0
    diglyme 1222.25
    acrylic acid 522.86
    isopropyl myristate 355.96
    n-butyric acid 1179.7
    acetyl acetate 763.94
    di(2-ethylhexyl) phthalate 282.69
    ethyl propionate 1045.34
    nitromethane 1445.77
    1,2-diethoxyethane 1066.29
    benzonitrile 1143.5
    trioctyl phosphate 226.86
    1-bromopropane 1740.86
    gamma-valerolactone 2332.56
    n-decanol 241.72
    triethyl phosphate 343.59
    4-methyl-2-pentanol 378.42
    propionitrile 1527.63
    vinylene carbonate 1258.95
    1,1,2-trichlorotrifluoroethane 1107.77
    DMS 650.6
    cumene 433.64
    2-octanol 276.38
    2-hexanone 1196.5
    octyl acetate 438.49
    limonene 524.96
    1,2-dimethoxyethane 1322.45
    ethyl orthosilicate 328.67
    tributyl phosphate 305.08
    diacetone alcohol 801.61
    N,N-dimethylaniline 653.48
    acrylonitrile 1541.26
    aniline 814.85
    1,3-propanediol 422.16
    bromobenzene 1538.21
    dibromomethane 2916.38
    1,1,2,2-tetrachloroethane 3169.71
    2-methyl-cyclohexyl acetate 684.44
    tetrabutyl urea 367.19
    diisobutyl methanol 342.13
    2-phenylethanol 669.83
    styrene 804.12
    dioctyl adipate 488.08
    dimethyl sulfate 607.0
    ethyl butyrate 1148.56
    methyl lactate 407.19
    butyl lactate 473.82
    diethyl carbonate 663.34
    propanediol butyl ether 503.58
    triethyl orthoformate 572.96
    p-tert-butyltoluene 368.15
    methyl 4-tert-butylbenzoate 600.38
    morpholine 1677.5
    tert-butylamine 638.34
    n-dodecanol 186.98
    dimethoxymethane 1133.85
    ethylene carbonate 1073.19
    cyrene 502.83
    2-ethoxyethyl acetate 807.23
    2-ethylhexyl acetate 1088.56
    1,2,4-trichlorobenzene 1152.87
    4-methylpyridine 2046.91
    dibutyl ether 626.71
    2,6-dimethyl-4-heptanol 342.13
    DEF 1515.4
    dimethyl isosorbide 959.35
    tetrachloroethylene 1747.2
    eugenol 506.66
    triacetin 655.0
    span 80 438.08
    1,4-butanediol 198.98
    1,1-dichloroethane 3002.75
    2-methyl-1-pentanol 587.2
    methyl formate 907.4
    2-methyl-1-butanol 734.89
    n-decane 77.7
    butyronitrile 1709.74
    3,7-dimethyl-1-octanol 402.65
    1-chlorooctane 376.07
    1-chlorotetradecane 135.53
    n-nonane 82.03
    undecane 54.72
    tert-butylcyclohexane 149.31
    cyclooctane 90.69
    cyclopentanol 712.55
    tetrahydropyran 1875.57
    tert-amyl methyl ether 772.77
    2,5,8-trioxanonane 743.39
    1-hexene 740.48
    2-isopropoxyethanol 511.73
    2,2,2-trifluoroethanol 194.18
    methyl butyrate 1470.77

    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