4-[(3-Methylbut-2-en-1-yl)oxy]benzaldehyde

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  • Identifiers

    CAS number
    28090-12-2

    Molecular formula
    C12H14O2

    SMILES
    CC(=CCOC1=CC=C(C=C1)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 78.72%
    Floral 75.46%
    Herbal 62.91%
    Spicy 56.84%
    Anisic 48.08%
    Green 45.57%
    Balsamic 41.29%
    Woody 39.56%
    Powdery 36.68%
    Cherry 36.64%

     

    Flavor
    Sweet 66.6%
    Spicy 49.16%
    Balsam 47.33%
    Floral 46.95%
    Cherry 41.39%
    Vanilla 40.35%
    Bitter 39.73%
    Fruity 39.68%
    Cinnamon 36.31%
    Almond 34.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.39 (weak base)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 127.5 ˚C est.

  • Synonyms

    • 28090-12-2
    • 4-((3-Methylbut-2-en-1-yl)oxy)benzaldehyde
    • 4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
    • DTXSID20448389
    • RefChem:286372
    • P-Isopentenyloxybenzaldehyde
    • DTXCID10399210
    • 4-(3-methylbut-2-enoxy)benzaldehyde
    • 4'-(3-Methyl-2-butyenyloxy)benzaldehyde
    • 4-(3-Methyl-2-butenyloxy)benzaldehyde
    • Benzaldehyde, 4-[(3-methyl-2-butenyl)oxy]-
    • MFCD06797957
    • 4-(3-Methylbut-2-enyloxy)benzaldehyde
    • 4-prenyloxybenzaldehyde
    • 4-Prenyloxybenzaldehyde; 4-[(3-Methyl-2-butenyl)oxy]benzaldehyde; 4-[(3-Methyl-2-buten-1-yl)oxy]benzaldehyde
    • CHEMBL2022665
    • SCHEMBL10269260
    • ZCAMZJYDORGUOV-UHFFFAOYSA-N
    • 4-(3-Methyl-2-butenyloxy)benzadehyde
    • AKOS000182460
    • AC-8372
    • AS-76548
    • 4\'-(3-Methyl-2-butyenyloxy)benzaldehyde
    • CS-0155163
    • D95087
    • 090M122
    • 28090-12-2

  • Applications

    4-[(3-Methylbut-2-en-1-yl)oxy]benzaldehyde, CAS 28090-12-2, is primarily used as an aroma chemical intermediate and odorant. In perfumery and cosmetics, it serves as a fragrance ingredient and a building block for more complex aroma compounds. It may also be used in household products such as air fresheners and cleaners to impart fragrance, and in industrial manufacturing as a precursor for specialty aroma chemicals and fragrance formulations. As with many benzaldehyde derivatives, use is subject to local regulations and formulation limits, and it can appear as a component in coatings or inks where fragrance is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 310.09
    methanol 305.47
    isopropanol 190.36
    water 0.4
    ethyl acetate 490.03
    n-propanol 217.56
    acetone 149.8
    n-butanol 204.61
    acetonitrile 421.75
    DMF 85.52
    toluene 163.45
    isobutanol 119.62
    1,4-dioxane 696.62
    methyl acetate 339.42
    THF 397.34
    2-butanone 262.06
    n-pentanol 150.27
    sec-butanol 212.32
    n-hexane 20.18
    ethylene glycol 47.98
    NMP 63.94
    cyclohexane 39.82
    DMSO 209.98
    n-butyl acetate 205.42
    n-octanol 46.1
    chloroform 1091.92
    n-propyl acetate 205.89
    acetic acid 312.79
    dichloromethane 793.61
    cyclohexanone 196.66
    propylene glycol 125.23
    isopropyl acetate 177.21
    DMAc 203.71
    2-ethoxyethanol 295.28
    isopentanol 149.37
    n-heptane 13.45
    ethyl formate 156.31
    1,2-dichloroethane 449.54
    n-hexanol 135.45
    2-methoxyethanol 386.71
    isobutyl acetate 121.32
    tetrachloromethane 64.03
    n-pentyl acetate 74.69
    transcutol 1304.27
    n-heptanol 49.46
    ethylbenzene 91.87
    MIBK 112.86
    2-propoxyethanol 247.66
    tert-butanol 244.91
    MTBE 233.24
    2-butoxyethanol 119.62
    propionic acid 187.98
    o-xylene 85.58
    formic acid 98.09
    diethyl ether 395.44
    m-xylene 86.93
    p-xylene 113.14
    chlorobenzene 178.33
    dimethyl carbonate 75.33
    n-octane 5.19
    formamide 177.74
    cyclopentanone 140.52
    2-pentanone 152.93
    anisole 225.27
    cyclopentyl methyl ether 151.68
    gamma-butyrolactone 207.58
    1-methoxy-2-propanol 265.46
    pyridine 511.2
    3-pentanone 142.58
    furfural 286.71
    n-dodecane 4.94
    diethylene glycol 190.7
    diisopropyl ether 70.35
    tert-amyl alcohol 200.92
    acetylacetone 194.25
    n-hexadecane 5.7
    acetophenone 180.62
    methyl propionate 196.68
    isopentyl acetate 181.17
    trichloroethylene 837.73
    n-nonanol 48.15
    cyclohexanol 136.38
    benzyl alcohol 168.58
    2-ethylhexanol 82.82
    isooctanol 44.48
    dipropyl ether 124.03
    1,2-dichlorobenzene 156.26
    ethyl lactate 90.28
    propylene carbonate 160.57
    n-methylformamide 90.36
    2-pentanol 138.31
    n-pentane 15.22
    1-propoxy-2-propanol 177.32
    1-methoxy-2-propyl acetate 211.75
    2-(2-methoxypropoxy) propanol 204.71
    mesitylene 53.62
    ε-caprolactone 226.06
    p-cymene 48.2
    epichlorohydrin 404.19
    1,1,1-trichloroethane 345.07
    2-aminoethanol 136.34
    morpholine-4-carbaldehyde 233.1
    sulfolane 164.99
    2,2,4-trimethylpentane 12.91
    2-methyltetrahydrofuran 295.32
    n-hexyl acetate 110.48
    isooctane 9.3
    2-(2-butoxyethoxy)ethanol 262.56
    sec-butyl acetate 150.93
    tert-butyl acetate 177.52
    decalin 21.29
    glycerin 137.97
    diglyme 512.79
    acrylic acid 157.28
    isopropyl myristate 57.68
    n-butyric acid 256.23
    acetyl acetate 232.2
    di(2-ethylhexyl) phthalate 58.56
    ethyl propionate 175.03
    nitromethane 403.2
    1,2-diethoxyethane 348.68
    benzonitrile 181.39
    trioctyl phosphate 32.06
    1-bromopropane 231.47
    gamma-valerolactone 274.21
    n-decanol 36.97
    triethyl phosphate 86.76
    4-methyl-2-pentanol 71.98
    propionitrile 249.0
    vinylene carbonate 173.87
    1,1,2-trichlorotrifluoroethane 297.47
    DMS 147.49
    cumene 58.62
    2-octanol 30.2
    2-hexanone 169.34
    octyl acetate 63.62
    limonene 66.27
    1,2-dimethoxyethane 446.25
    ethyl orthosilicate 83.71
    tributyl phosphate 54.34
    diacetone alcohol 178.35
    N,N-dimethylaniline 123.26
    acrylonitrile 268.62
    aniline 192.44
    1,3-propanediol 195.47
    bromobenzene 189.65
    dibromomethane 502.45
    1,1,2,2-tetrachloroethane 677.24
    2-methyl-cyclohexyl acetate 125.28
    tetrabutyl urea 59.68
    diisobutyl methanol 54.62
    2-phenylethanol 143.58
    styrene 126.3
    dioctyl adipate 99.82
    dimethyl sulfate 82.3
    ethyl butyrate 174.5
    methyl lactate 91.61
    butyl lactate 75.28
    diethyl carbonate 142.17
    propanediol butyl ether 117.4
    triethyl orthoformate 130.32
    p-tert-butyltoluene 46.11
    methyl 4-tert-butylbenzoate 122.48
    morpholine 669.32
    tert-butylamine 138.52
    n-dodecanol 29.37
    dimethoxymethane 158.97
    ethylene carbonate 146.15
    cyrene 126.91
    2-ethoxyethyl acetate 161.05
    2-ethylhexyl acetate 140.26
    1,2,4-trichlorobenzene 182.72
    4-methylpyridine 307.15
    dibutyl ether 103.13
    2,6-dimethyl-4-heptanol 54.62
    DEF 157.56
    dimethyl isosorbide 262.93
    tetrachloroethylene 353.16
    eugenol 122.66
    triacetin 169.93
    span 80 129.9
    1,4-butanediol 70.63
    1,1-dichloroethane 393.0
    2-methyl-1-pentanol 131.57
    methyl formate 67.01
    2-methyl-1-butanol 136.92
    n-decane 8.05
    butyronitrile 221.06
    3,7-dimethyl-1-octanol 69.29
    1-chlorooctane 37.59
    1-chlorotetradecane 17.02
    n-nonane 7.07
    undecane 6.04
    tert-butylcyclohexane 19.55
    cyclooctane 11.87
    cyclopentanol 84.16
    tetrahydropyran 485.67
    tert-amyl methyl ether 153.56
    2,5,8-trioxanonane 361.57
    1-hexene 90.19
    2-isopropoxyethanol 181.89
    2,2,2-trifluoroethanol 78.07
    methyl butyrate 212.42

    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