alpha-Methylchalcone

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  • Identifiers

    CAS number
    4258-37-1

    Molecular formula
    C16H14O

    SMILES
    CC(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 70.95%
    Balsamic 67.32%
    Sweet 60.12%
    Fruity 52.25%
    Spicy 49.07%
    Honey 42.9%
    Powdery 42.75%
    Rose 41.43%
    Herbal 37.34%
    Cinnamon 35.45%

     

    Flavor
    Bitter 32.74%
    Balsam 30.73%
    Honey 24.72%
    Rose 22.57%
    Nitrile 20.29%
    Genet 20.08%
    Heather 20.04%
    Oriental 19.88%
    Valerian 19.87%
    Broom 19.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.19 (neutral)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 155.04 ˚C est.

  • Synonyms

    • alpha-Methylchalcone
    • 4258-37-1
    • Chalcone, alpha-methyl-
    • MLS003106952
    • Benzalpropiophenon
    • SCHEMBL351852
    • CHEMBL2361282
    • DKKXNYQFLLVEHQ-UHFFFAOYSA-N
    • NSC 224125
    • NSC 401989
    • SMR001821836

  • Applications

    alpha-Methylchalcone (CAS 4258-37-1) is used primarily as a fragrance ingredient and a synthetic intermediate in perfumery, contributing to scent profiles and serving as a precursor for related aroma compounds. In cosmetics and personal care formulations it acts as a fragrance component. It may be evaluated for use in household products as an aroma additive. In the flavor/aroma sector it can function as an aroma intermediate for synthesis of related compounds. Additionally, it serves as a chemical building block in industrial manufacturing for the preparation of other fragrance chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.6
    methanol 137.79
    isopropanol 118.91
    water 0.79
    ethyl acetate 787.57
    n-propanol 166.32
    acetone 973.8
    n-butanol 184.76
    acetonitrile 712.18
    DMF 1809.37
    toluene 472.87
    isobutanol 142.25
    1,4-dioxane 814.27
    methyl acetate 730.76
    THF 1012.81
    2-butanone 916.77
    n-pentanol 128.21
    sec-butanol 132.92
    n-hexane 49.73
    ethylene glycol 26.11
    NMP 873.77
    cyclohexane 59.36
    DMSO 450.0
    n-butyl acetate 485.41
    n-octanol 124.08
    chloroform 2073.49
    n-propyl acetate 479.36
    acetic acid 243.78
    dichloromethane 2316.57
    cyclohexanone 1227.02
    propylene glycol 38.3
    isopropyl acetate 428.07
    DMAc 1234.72
    2-ethoxyethanol 210.31
    isopentanol 173.98
    n-heptane 38.36
    ethyl formate 480.48
    1,2-dichloroethane 1913.53
    n-hexanol 148.98
    2-methoxyethanol 354.5
    isobutyl acetate 291.73
    tetrachloromethane 137.58
    n-pentyl acetate 299.33
    transcutol 1234.82
    n-heptanol 110.22
    ethylbenzene 288.22
    MIBK 434.02
    2-propoxyethanol 260.15
    tert-butanol 142.42
    MTBE 296.53
    2-butoxyethanol 210.36
    propionic acid 240.21
    o-xylene 242.19
    formic acid 55.43
    diethyl ether 566.67
    m-xylene 264.42
    p-xylene 287.55
    chlorobenzene 768.9
    dimethyl carbonate 421.05
    n-octane 23.49
    formamide 237.4
    cyclopentanone 1401.54
    2-pentanone 812.89
    anisole 611.97
    cyclopentyl methyl ether 502.97
    gamma-butyrolactone 1301.59
    1-methoxy-2-propanol 275.13
    pyridine 1307.47
    3-pentanone 686.71
    furfural 1022.61
    n-dodecane 16.1
    diethylene glycol 137.32
    diisopropyl ether 140.81
    tert-amyl alcohol 145.75
    acetylacetone 825.64
    n-hexadecane 19.43
    acetophenone 544.81
    methyl propionate 664.65
    isopentyl acetate 401.29
    trichloroethylene 3472.62
    n-nonanol 113.01
    cyclohexanol 179.65
    benzyl alcohol 274.61
    2-ethylhexanol 133.83
    isooctanol 103.27
    dipropyl ether 267.56
    1,2-dichlorobenzene 670.43
    ethyl lactate 152.98
    propylene carbonate 681.38
    n-methylformamide 601.16
    2-pentanol 136.18
    n-pentane 28.91
    1-propoxy-2-propanol 206.4
    1-methoxy-2-propyl acetate 384.48
    2-(2-methoxypropoxy) propanol 206.22
    mesitylene 159.02
    ε-caprolactone 847.95
    p-cymene 113.32
    epichlorohydrin 1759.52
    1,1,1-trichloroethane 1070.61
    2-aminoethanol 65.09
    morpholine-4-carbaldehyde 840.06
    sulfolane 951.68
    2,2,4-trimethylpentane 20.29
    2-methyltetrahydrofuran 641.7
    n-hexyl acetate 424.38
    isooctane 18.47
    2-(2-butoxyethoxy)ethanol 291.06
    sec-butyl acetate 304.52
    tert-butyl acetate 372.41
    decalin 50.56
    glycerin 64.3
    diglyme 809.22
    acrylic acid 240.66
    isopropyl myristate 137.6
    n-butyric acid 407.79
    acetyl acetate 439.23
    di(2-ethylhexyl) phthalate 99.82
    ethyl propionate 456.32
    nitromethane 971.65
    1,2-diethoxyethane 510.32
    benzonitrile 563.82
    trioctyl phosphate 69.66
    1-bromopropane 662.09
    gamma-valerolactone 1294.15
    n-decanol 78.34
    triethyl phosphate 152.49
    4-methyl-2-pentanol 92.73
    propionitrile 535.42
    vinylene carbonate 703.78
    1,1,2-trichlorotrifluoroethane 600.49
    DMS 403.89
    cumene 155.18
    2-octanol 85.79
    2-hexanone 471.99
    octyl acetate 168.55
    limonene 148.98
    1,2-dimethoxyethane 669.28
    ethyl orthosilicate 140.89
    tributyl phosphate 101.03
    diacetone alcohol 326.48
    N,N-dimethylaniline 306.81
    acrylonitrile 775.79
    aniline 380.21
    1,3-propanediol 124.24
    bromobenzene 857.33
    dibromomethane 1279.18
    1,1,2,2-tetrachloroethane 2136.38
    2-methyl-cyclohexyl acetate 229.67
    tetrabutyl urea 146.14
    diisobutyl methanol 89.36
    2-phenylethanol 232.32
    styrene 402.66
    dioctyl adipate 200.89
    dimethyl sulfate 488.07
    ethyl butyrate 398.2
    methyl lactate 192.8
    butyl lactate 174.38
    diethyl carbonate 268.66
    propanediol butyl ether 159.74
    triethyl orthoformate 212.94
    p-tert-butyltoluene 103.88
    methyl 4-tert-butylbenzoate 264.02
    morpholine 768.77
    tert-butylamine 98.14
    n-dodecanol 59.18
    dimethoxymethane 842.67
    ethylene carbonate 545.61
    cyrene 213.15
    2-ethoxyethyl acetate 409.65
    2-ethylhexyl acetate 314.52
    1,2,4-trichlorobenzene 718.68
    4-methylpyridine 1159.33
    dibutyl ether 270.32
    2,6-dimethyl-4-heptanol 89.36
    DEF 947.66
    dimethyl isosorbide 420.19
    tetrachloroethylene 1115.5
    eugenol 245.76
    triacetin 336.59
    span 80 150.03
    1,4-butanediol 51.44
    1,1-dichloroethane 1351.52
    2-methyl-1-pentanol 143.78
    methyl formate 531.96
    2-methyl-1-butanol 159.75
    n-decane 30.1
    butyronitrile 528.24
    3,7-dimethyl-1-octanol 117.08
    1-chlorooctane 155.96
    1-chlorotetradecane 50.88
    n-nonane 30.0
    undecane 21.11
    tert-butylcyclohexane 43.43
    cyclooctane 27.1
    cyclopentanol 178.64
    tetrahydropyran 732.68
    tert-amyl methyl ether 239.34
    2,5,8-trioxanonane 417.2
    1-hexene 190.16
    2-isopropoxyethanol 171.89
    2,2,2-trifluoroethanol 117.15
    methyl butyrate 653.01

    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