2-(2,3-Dimethylphenyl)propanal

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  • Identifiers

    CAS number
    1416253-90-1

    Molecular formula
    C11H14O

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

  • Odor profile

    Fragrance
    Green 85.08%
    Floral 81.46%
    Fresh 58.72%
    Aldehydic 47.81%
    Lily 46.02%
    Leafy 43.85%
    Cortex 41.85%
    Muguet 41.38%
    Woody 38.51%
    Herbal 38.32%

     

    Flavor
    Floral 44.62%
    Green 42.71%
    Herbal 41.72%
    Spicy 37.5%
    Woody 34.69%
    Musty 27.61%
    Fresh 26.11%
    Earthy 24.88%
    Fruity 23.91%
    Spice 23.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.49 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 108.03 ˚C est.

  • Synonyms

    • 2-(2,3-dimethylphenyl)propanal
    • SCHEMBL1324773
    • GNEYVIZQCGXVEV-UHFFFAOYSA-N
    • EN300-1843420
    • 1416253-90-1

  • Applications

    2-(2,3-Dimethylphenyl)propanal (CAS 1416253-90-1) is used primarily as a fragrance ingredient and a synthetic precursor for aromatic compounds, commonly applied in perfumery and cosmetics; it can also contribute as an aroma component in flavor formulations for foods under appropriate safety and regulatory controls; due to its aryl fragrance, it may be incorporated into household and cleaning products to contribute scents; in industrial manufacturing it serves as a fragrance intermediate or building block for the synthesis of aroma-related specialty chemicals used in coatings, inks, and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1476.53
    methanol 1379.41
    isopropanol 845.84
    water 2.92
    ethyl acetate 2432.62
    n-propanol 1263.71
    acetone 2665.18
    n-butanol 917.62
    acetonitrile 3195.4
    DMF 2653.66
    toluene 941.22
    isobutanol 699.64
    1,4-dioxane 4196.55
    methyl acetate 2285.56
    THF 4158.19
    2-butanone 2338.98
    n-pentanol 470.37
    sec-butanol 624.9
    n-hexane 117.55
    ethylene glycol 189.06
    NMP 1534.05
    cyclohexane 172.78
    DMSO 2212.25
    n-butyl acetate 1173.04
    n-octanol 207.42
    chloroform 4248.58
    n-propyl acetate 971.17
    acetic acid 634.67
    dichloromethane 5960.8
    cyclohexanone 2698.28
    propylene glycol 170.89
    isopropyl acetate 887.13
    DMAc 993.86
    2-ethoxyethanol 868.97
    isopentanol 617.94
    n-heptane 75.72
    ethyl formate 1315.55
    1,2-dichloroethane 4845.32
    n-hexanol 673.11
    2-methoxyethanol 1542.47
    isobutyl acetate 481.24
    tetrachloromethane 711.96
    n-pentyl acetate 454.32
    transcutol 1784.48
    n-heptanol 234.82
    ethylbenzene 437.62
    MIBK 686.59
    2-propoxyethanol 1145.9
    tert-butanol 908.44
    MTBE 1327.19
    2-butoxyethanol 452.78
    propionic acid 847.44
    o-xylene 439.82
    formic acid 253.04
    diethyl ether 2441.51
    m-xylene 509.69
    p-xylene 443.33
    chlorobenzene 1247.72
    dimethyl carbonate 592.66
    n-octane 39.63
    formamide 762.79
    cyclopentanone 3487.82
    2-pentanone 1603.56
    anisole 932.78
    cyclopentyl methyl ether 1623.69
    gamma-butyrolactone 3498.84
    1-methoxy-2-propanol 1039.47
    pyridine 2197.77
    3-pentanone 1441.63
    furfural 1807.54
    n-dodecane 25.29
    diethylene glycol 643.6
    diisopropyl ether 369.52
    tert-amyl alcohol 633.36
    acetylacetone 1305.51
    n-hexadecane 30.69
    acetophenone 600.3
    methyl propionate 1783.48
    isopentyl acetate 802.53
    trichloroethylene 5628.67
    n-nonanol 182.19
    cyclohexanol 731.16
    benzyl alcohol 483.76
    2-ethylhexanol 323.58
    isooctanol 189.07
    dipropyl ether 606.7
    1,2-dichlorobenzene 931.74
    ethyl lactate 244.4
    propylene carbonate 1199.36
    n-methylformamide 2110.08
    2-pentanol 507.81
    n-pentane 104.51
    1-propoxy-2-propanol 659.96
    1-methoxy-2-propyl acetate 825.02
    2-(2-methoxypropoxy) propanol 318.24
    mesitylene 279.68
    ε-caprolactone 1820.75
    p-cymene 178.1
    epichlorohydrin 4834.74
    1,1,1-trichloroethane 2752.73
    2-aminoethanol 409.38
    morpholine-4-carbaldehyde 1775.91
    sulfolane 2591.04
    2,2,4-trimethylpentane 48.37
    2-methyltetrahydrofuran 2597.28
    n-hexyl acetate 591.01
    isooctane 47.22
    2-(2-butoxyethoxy)ethanol 509.18
    sec-butyl acetate 534.49
    tert-butyl acetate 816.12
    decalin 90.51
    glycerin 225.84
    diglyme 1168.86
    acrylic acid 561.03
    isopropyl myristate 203.46
    n-butyric acid 1107.08
    acetyl acetate 776.34
    di(2-ethylhexyl) phthalate 154.14
    ethyl propionate 892.11
    nitromethane 2480.41
    1,2-diethoxyethane 1092.83
    benzonitrile 794.34
    trioctyl phosphate 122.82
    1-bromopropane 2071.41
    gamma-valerolactone 3379.19
    n-decanol 136.02
    triethyl phosphate 218.28
    4-methyl-2-pentanol 243.54
    propionitrile 2033.04
    vinylene carbonate 1157.6
    1,1,2-trichlorotrifluoroethane 1014.63
    DMS 574.59
    cumene 237.04
    2-octanol 164.91
    2-hexanone 921.61
    octyl acetate 259.6
    limonene 264.3
    1,2-dimethoxyethane 1726.53
    ethyl orthosilicate 213.34
    tributyl phosphate 161.51
    diacetone alcohol 674.05
    N,N-dimethylaniline 426.38
    acrylonitrile 2226.39
    aniline 928.3
    1,3-propanediol 724.79
    bromobenzene 1345.65
    dibromomethane 3469.07
    1,1,2,2-tetrachloroethane 3309.46
    2-methyl-cyclohexyl acetate 367.77
    tetrabutyl urea 196.6
    diisobutyl methanol 176.7
    2-phenylethanol 523.56
    styrene 576.03
    dioctyl adipate 249.33
    dimethyl sulfate 726.38
    ethyl butyrate 677.08
    methyl lactate 354.83
    butyl lactate 241.24
    diethyl carbonate 401.77
    propanediol butyl ether 278.7
    triethyl orthoformate 350.58
    p-tert-butyltoluene 177.71
    methyl 4-tert-butylbenzoate 354.28
    morpholine 3933.2
    tert-butylamine 569.27
    n-dodecanol 103.08
    dimethoxymethane 1960.44
    ethylene carbonate 1109.71
    cyrene 338.93
    2-ethoxyethyl acetate 696.93
    2-ethylhexyl acetate 602.52
    1,2,4-trichlorobenzene 950.64
    4-methylpyridine 2018.7
    dibutyl ether 398.11
    2,6-dimethyl-4-heptanol 176.7
    DEF 1618.09
    dimethyl isosorbide 703.18
    tetrachloroethylene 2171.12
    eugenol 353.17
    triacetin 374.46
    span 80 254.01
    1,4-butanediol 215.66
    1,1-dichloroethane 3763.09
    2-methyl-1-pentanol 380.34
    methyl formate 1539.72
    2-methyl-1-butanol 603.67
    n-decane 45.75
    butyronitrile 1541.02
    3,7-dimethyl-1-octanol 196.54
    1-chlorooctane 224.8
    1-chlorotetradecane 79.52
    n-nonane 46.22
    undecane 32.97
    tert-butylcyclohexane 84.04
    cyclooctane 59.7
    cyclopentanol 829.33
    tetrahydropyran 3263.16
    tert-amyl methyl ether 729.33
    2,5,8-trioxanonane 578.94
    1-hexene 455.71
    2-isopropoxyethanol 537.6
    2,2,2-trifluoroethanol 318.43
    methyl butyrate 1135.21

    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