2-(5-Methylfuran-2-yl)butanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    123821-11-4

    Molecular formula
    C9H12O2

    SMILES
    CCC(C=O)C1=CC=C(O1)C

  • Odor profile

    Fragrance
    Green 85.7%
    Fruity 84.92%
    Fatty 56.04%
    Vegetable 44.46%
    Nutty 36.56%
    Tropical 32.19%
    Earthy 32.18%
    Grassy 30.55%
    Fresh 29.92%
    Floral 29.79%

     

    Flavor
    Fruity 45.99%
    Caramel 28.78%
    Roasted 26.75%
    Sweet 26.56%
    Oily 26.02%
    Nutty 24.2%
    Mushroom 23.98%
    Earthy 23.57%
    Berry 23.37%
    Musty 23.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.44 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 80.47 ˚C est.

  • Synonyms

    • 2-(5-methylfuran-2-yl)butanal
    • SCHEMBL2518991
    • DTXSID20275677
    • 123821-11-4

  • Applications

    2-(5-Methylfuran-2-yl)butanal (CAS 123821-11-4) is commonly used as a synthetic intermediate in fragrance and flavor chemistry, serving as a building block for perfume formulations and aroma compounds; it may also function in cosmetics and personal care as a fragrance source or intermediate, and in household products as a fragrance additive; as a versatile building block in organic synthesis, it can be used to prepare specialty polymers and functional materials, and to support coatings and inks applications; overall, its role is primarily that of an intermediate or odorant in industrial manufacturing, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 511.91
    methanol 625.09
    isopropanol 399.13
    water 4.58
    ethyl acetate 330.76
    n-propanol 430.84
    acetone 613.98
    n-butanol 396.36
    acetonitrile 660.31
    DMF 1008.52
    toluene 253.43
    isobutanol 366.13
    1,4-dioxane 818.61
    methyl acetate 448.79
    THF 1032.29
    2-butanone 491.3
    n-pentanol 276.37
    sec-butanol 368.35
    n-hexane 47.64
    ethylene glycol 171.26
    NMP 885.15
    cyclohexane 124.46
    DMSO 895.06
    n-butyl acetate 287.01
    n-octanol 200.88
    chloroform 2074.8
    n-propyl acetate 235.85
    acetic acid 457.65
    dichloromethane 2214.68
    cyclohexanone 844.59
    propylene glycol 214.63
    isopropyl acetate 190.95
    DMAc 729.75
    2-ethoxyethanol 301.69
    isopentanol 316.85
    n-heptane 48.09
    ethyl formate 386.24
    1,2-dichloroethane 902.66
    n-hexanol 328.67
    2-methoxyethanol 526.7
    isobutyl acetate 171.7
    tetrachloromethane 267.64
    n-pentyl acetate 181.7
    transcutol 738.44
    n-heptanol 143.87
    ethylbenzene 180.63
    MIBK 232.11
    2-propoxyethanol 409.94
    tert-butanol 467.15
    MTBE 303.72
    2-butoxyethanol 206.71
    propionic acid 402.59
    o-xylene 202.47
    formic acid 135.32
    diethyl ether 294.73
    m-xylene 194.98
    p-xylene 242.66
    chlorobenzene 505.99
    dimethyl carbonate 204.78
    n-octane 25.99
    formamide 219.05
    cyclopentanone 868.12
    2-pentanone 334.29
    anisole 355.74
    cyclopentyl methyl ether 378.44
    gamma-butyrolactone 996.34
    1-methoxy-2-propanol 390.65
    pyridine 685.87
    3-pentanone 295.19
    furfural 884.7
    n-dodecane 30.51
    diethylene glycol 352.22
    diisopropyl ether 93.33
    tert-amyl alcohol 362.27
    acetylacetone 400.9
    n-hexadecane 34.83
    acetophenone 328.53
    methyl propionate 322.37
    isopentyl acetate 252.51
    trichloroethylene 1770.24
    n-nonanol 163.53
    cyclohexanol 421.77
    benzyl alcohol 301.07
    2-ethylhexanol 185.18
    isooctanol 120.98
    dipropyl ether 186.9
    1,2-dichlorobenzene 460.78
    ethyl lactate 163.53
    propylene carbonate 577.21
    n-methylformamide 448.46
    2-pentanol 238.24
    n-pentane 51.26
    1-propoxy-2-propanol 277.11
    1-methoxy-2-propyl acetate 267.83
    2-(2-methoxypropoxy) propanol 280.84
    mesitylene 132.87
    ε-caprolactone 593.2
    p-cymene 121.04
    epichlorohydrin 1062.28
    1,1,1-trichloroethane 871.32
    2-aminoethanol 272.21
    morpholine-4-carbaldehyde 746.94
    sulfolane 1118.45
    2,2,4-trimethylpentane 38.7
    2-methyltetrahydrofuran 643.56
    n-hexyl acetate 321.78
    isooctane 29.23
    2-(2-butoxyethoxy)ethanol 324.44
    sec-butyl acetate 152.92
    tert-butyl acetate 218.45
    decalin 58.34
    glycerin 255.13
    diglyme 555.3
    acrylic acid 375.71
    isopropyl myristate 147.23
    n-butyric acid 448.85
    acetyl acetate 260.36
    di(2-ethylhexyl) phthalate 160.68
    ethyl propionate 220.23
    nitromethane 750.89
    1,2-diethoxyethane 250.27
    benzonitrile 504.21
    trioctyl phosphate 112.93
    1-bromopropane 491.66
    gamma-valerolactone 895.89
    n-decanol 125.97
    triethyl phosphate 135.8
    4-methyl-2-pentanol 137.2
    propionitrile 515.08
    vinylene carbonate 593.13
    1,1,2-trichlorotrifluoroethane 555.79
    DMS 294.69
    cumene 134.2
    2-octanol 119.73
    2-hexanone 269.83
    octyl acetate 184.03
    limonene 176.4
    1,2-dimethoxyethane 581.58
    ethyl orthosilicate 119.86
    tributyl phosphate 134.9
    diacetone alcohol 278.66
    N,N-dimethylaniline 246.58
    acrylonitrile 668.42
    aniline 333.69
    1,3-propanediol 331.41
    bromobenzene 561.82
    dibromomethane 1261.49
    1,1,2,2-tetrachloroethane 1207.96
    2-methyl-cyclohexyl acetate 215.44
    tetrabutyl urea 182.38
    diisobutyl methanol 109.83
    2-phenylethanol 277.87
    styrene 232.71
    dioctyl adipate 224.28
    dimethyl sulfate 329.19
    ethyl butyrate 226.98
    methyl lactate 203.33
    butyl lactate 168.26
    diethyl carbonate 192.0
    propanediol butyl ether 236.87
    triethyl orthoformate 152.29
    p-tert-butyltoluene 112.58
    methyl 4-tert-butylbenzoate 294.1
    morpholine 763.37
    tert-butylamine 306.99
    n-dodecanol 103.7
    dimethoxymethane 470.58
    ethylene carbonate 469.69
    cyrene 302.04
    2-ethoxyethyl acetate 237.04
    2-ethylhexyl acetate 189.96
    1,2,4-trichlorobenzene 518.35
    4-methylpyridine 677.96
    dibutyl ether 190.0
    2,6-dimethyl-4-heptanol 109.83
    DEF 430.39
    dimethyl isosorbide 454.45
    tetrachloroethylene 730.93
    eugenol 266.41
    triacetin 311.8
    span 80 252.1
    1,4-butanediol 174.77
    1,1-dichloroethane 945.07
    2-methyl-1-pentanol 258.06
    methyl formate 438.1
    2-methyl-1-butanol 314.84
    n-decane 43.59
    butyronitrile 508.5
    3,7-dimethyl-1-octanol 184.9
    1-chlorooctane 155.14
    1-chlorotetradecane 74.93
    n-nonane 42.68
    undecane 35.74
    tert-butylcyclohexane 52.82
    cyclooctane 34.01
    cyclopentanol 499.71
    tetrahydropyran 658.8
    tert-amyl methyl ether 224.28
    2,5,8-trioxanonane 450.21
    1-hexene 165.0
    2-isopropoxyethanol 221.66
    2,2,2-trifluoroethanol 172.25
    methyl butyrate 324.25

    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