Ethylpentyl methoxychromone

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  • Identifiers

    CAS number
    171269-68-4

    Molecular formula
    C17H22O3

    SMILES
    CCCCC(CC)C1=CC(=O)C2=C(O1)C=C(C=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 43.18%
    Spicy 34.36%
    Fatty 31.39%
    Sweet 30.63%
    Animal 30.53%
    Creamy 26.89%
    Herbal 26.46%
    Phenolic 25.41%
    Lactonic 24.65%
    Burnt 24.14%

     

    Flavor
    Herbal 37.2%
    Bitter 34.97%
    Spice 23.17%
    Woody 21.55%
    Pepper 21.29%
    Lovage 21.24%
    Parsley 20.6%
    Carrot 20.59%
    Cedarleaf 20.54%
    Green pepper 20.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.58 (weak base)

    Molecular weight
    274.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 160.16 ˚C est.

  • Synonyms

    • Ethylpentyl methoxychromone
    • 171269-68-4
    • (+/-)-Ethylpentyl methoxychromone
    • MA-293
    • Ethylpentyl methoxychromone, (+/-)-
    • UNII-5971874U76
    • 4H-1-Benzopyran-4-one, 2-(1-ethylpentyl)-7-methoxy-
    • 5971874U76
    • SCHEMBL3659422
    • SCHEMBL29721681
    • DTXSID60937964
    • QTRVIZGMBDEREZ-UHFFFAOYSA-N
    • 2-(Heptan-3-yl)-7-methoxy-4H-1-benzopyran-4-one
    • Q27261670
    • 171269-68-4

  • Applications

    Ethylpentyl methoxychromone (CAS 171269-68-4) is primarily regarded as a fragrance ingredient in the perfumery industry, acting as an odorant with the potential to function as a fixative to extend aroma. It is also used as an intermediate in the synthesis of other aroma compounds, and thus commonly encountered in fragrance manufacturing. In cosmetics and personal care, it may be incorporated as a fragrance component in products such as lotions, creams, and perfumes. Its aroma characteristics may also support use in household products (air fresheners, cleaners) to impart fragrance, and it can be evaluated as a fragrance additive in coatings/inks and as a fragrance modifier in polymers/plastics during processing or end-use. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.45
    methanol 162.17
    isopropanol 100.4
    water 0.04
    ethyl acetate 480.38
    n-propanol 182.2
    acetone 544.24
    n-butanol 176.36
    acetonitrile 277.02
    DMF 1096.02
    toluene 437.42
    isobutanol 148.75
    1,4-dioxane 621.52
    methyl acetate 457.45
    THF 843.26
    2-butanone 422.22
    n-pentanol 106.19
    sec-butanol 110.11
    n-hexane 5.51
    ethylene glycol 45.85
    NMP 1081.66
    cyclohexane 25.32
    DMSO 843.27
    n-butyl acetate 222.98
    n-octanol 20.39
    chloroform 2067.6
    n-propyl acetate 214.97
    acetic acid 357.83
    dichloromethane 2984.29
    cyclohexanone 890.52
    propylene glycol 58.36
    isopropyl acetate 248.93
    DMAc 847.32
    2-ethoxyethanol 245.63
    isopentanol 171.08
    n-heptane 2.34
    ethyl formate 208.9
    1,2-dichloroethane 2276.53
    n-hexanol 82.91
    2-methoxyethanol 547.05
    isobutyl acetate 133.95
    tetrachloromethane 125.43
    n-pentyl acetate 117.98
    transcutol 1186.54
    n-heptanol 32.14
    ethylbenzene 99.34
    MIBK 202.77
    2-propoxyethanol 282.03
    tert-butanol 122.86
    MTBE 157.05
    2-butoxyethanol 120.77
    propionic acid 248.99
    o-xylene 154.4
    formic acid 100.18
    diethyl ether 245.31
    m-xylene 192.7
    p-xylene 120.46
    chlorobenzene 683.0
    dimethyl carbonate 220.94
    n-octane 1.31
    formamide 264.39
    cyclopentanone 1027.79
    2-pentanone 373.54
    anisole 248.78
    cyclopentyl methyl ether 455.42
    gamma-butyrolactone 1059.34
    1-methoxy-2-propanol 306.38
    pyridine 982.79
    3-pentanone 307.28
    furfural 988.17
    n-dodecane 1.39
    diethylene glycol 240.71
    diisopropyl ether 46.38
    tert-amyl alcohol 114.31
    acetylacetone 580.4
    n-hexadecane 1.73
    acetophenone 256.47
    methyl propionate 459.11
    isopentyl acetate 207.16
    trichloroethylene 3505.91
    n-nonanol 22.46
    cyclohexanol 266.27
    benzyl alcohol 255.67
    2-ethylhexanol 52.94
    isooctanol 31.35
    dipropyl ether 55.48
    1,2-dichlorobenzene 499.79
    ethyl lactate 90.16
    propylene carbonate 463.19
    n-methylformamide 416.77
    2-pentanol 90.1
    n-pentane 5.82
    1-propoxy-2-propanol 153.33
    1-methoxy-2-propyl acetate 291.13
    2-(2-methoxypropoxy) propanol 151.23
    mesitylene 75.3
    ε-caprolactone 692.64
    p-cymene 41.26
    epichlorohydrin 2029.98
    1,1,1-trichloroethane 895.16
    2-aminoethanol 103.13
    morpholine-4-carbaldehyde 951.11
    sulfolane 1133.63
    2,2,4-trimethylpentane 6.02
    2-methyltetrahydrofuran 554.02
    n-hexyl acetate 129.08
    isooctane 3.96
    2-(2-butoxyethoxy)ethanol 216.26
    sec-butyl acetate 151.8
    tert-butyl acetate 239.21
    decalin 12.12
    glycerin 117.01
    diglyme 507.14
    acrylic acid 267.24
    isopropyl myristate 41.43
    n-butyric acid 348.26
    acetyl acetate 303.82
    di(2-ethylhexyl) phthalate 64.03
    ethyl propionate 193.86
    nitromethane 818.79
    1,2-diethoxyethane 275.1
    benzonitrile 318.79
    trioctyl phosphate 33.34
    1-bromopropane 519.06
    gamma-valerolactone 1325.46
    n-decanol 16.51
    triethyl phosphate 77.69
    4-methyl-2-pentanol 53.97
    propionitrile 229.2
    vinylene carbonate 489.33
    1,1,2-trichlorotrifluoroethane 791.23
    DMS 255.69
    cumene 53.19
    2-octanol 19.04
    2-hexanone 188.31
    octyl acetate 57.7
    limonene 56.9
    1,2-dimethoxyethane 439.27
    ethyl orthosilicate 71.44
    tributyl phosphate 55.29
    diacetone alcohol 243.08
    N,N-dimethylaniline 131.04
    acrylonitrile 394.48
    aniline 536.03
    1,3-propanediol 199.72
    bromobenzene 758.26
    dibromomethane 1427.26
    1,1,2,2-tetrachloroethane 2174.11
    2-methyl-cyclohexyl acetate 128.75
    tetrabutyl urea 72.05
    diisobutyl methanol 32.68
    2-phenylethanol 190.6
    styrene 160.17
    dioctyl adipate 88.91
    dimethyl sulfate 347.34
    ethyl butyrate 143.69
    methyl lactate 168.54
    butyl lactate 101.22
    diethyl carbonate 105.08
    propanediol butyl ether 95.11
    triethyl orthoformate 96.32
    p-tert-butyltoluene 37.1
    methyl 4-tert-butylbenzoate 134.0
    morpholine 908.44
    tert-butylamine 64.52
    n-dodecanol 12.99
    dimethoxymethane 612.9
    ethylene carbonate 397.5
    cyrene 184.93
    2-ethoxyethyl acetate 272.13
    2-ethylhexyl acetate 157.27
    1,2,4-trichlorobenzene 615.32
    4-methylpyridine 903.02
    dibutyl ether 49.42
    2,6-dimethyl-4-heptanol 32.68
    DEF 595.11
    dimethyl isosorbide 324.66
    tetrachloroethylene 1237.55
    eugenol 150.23
    triacetin 172.86
    span 80 111.14
    1,4-butanediol 66.64
    1,1-dichloroethane 1111.65
    2-methyl-1-pentanol 128.43
    methyl formate 302.7
    2-methyl-1-butanol 170.25
    n-decane 2.11
    butyronitrile 222.37
    3,7-dimethyl-1-octanol 34.88
    1-chlorooctane 21.84
    1-chlorotetradecane 8.73
    n-nonane 1.71
    undecane 1.64
    tert-butylcyclohexane 8.02
    cyclooctane 4.97
    cyclopentanol 235.75
    tetrahydropyran 606.65
    tert-amyl methyl ether 127.41
    2,5,8-trioxanonane 301.67
    1-hexene 42.34
    2-isopropoxyethanol 159.03
    2,2,2-trifluoroethanol 131.44
    methyl butyrate 266.37

    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