3-Buten-2-ol, 2-methyl-, acetate

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  • Identifiers

    CAS number
    24509-88-4

    Molecular formula
    C7H12O2

    SMILES
    CC(=O)OC(C)(C)C=C

  • Odor profile

    Fragrance
    Fruity 95.7%
    Green 65.48%
    Tropical 46.19%
    Fresh 45.48%
    Banana 44.07%
    Ethereal 38.96%
    Apple 37.93%
    Herbal 36.13%
    Pear 32.91%
    Berry 32.4%

     

    Flavor
    Sweet 65.22%
    Citrus 52.16%
    Lavender 50.52%
    Herbal 49.37%
    Fruity 49.29%
    Woody 41.78%
    Bergamot 40.77%
    Tropical 38.03%
    Fresh 30.0%
    Green 29.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.17 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 23.16 ˚C est.

  • Synonyms

    • 3-Buten-2-ol, 2-methyl-, acetate
    • 24509-88-4
    • 1,1-Dimethyl-2-propenyl acetate
    • DTXSID20179262
    • 2-methylbut-3-en-2-yl acetate
    • 1,1-Dimethyl allylacetate
    • 2-methyl-3-buten-2-yl acetate
    • SCHEMBL1270028
    • 3-acetoxy-3-methyl-but-1-ene
    • 3-methylbut-1-en-3-yl acetate
    • DTXCID50101753
    • DB-249994
    • Q63396517

  • Applications

    3-Buten-2-ol, 2-methyl-, acetate (CAS 24509-88-4) is primarily used as an intermediate and aroma chemical in fragrance and flavor chemistry; it is commonly evaluated as a fragrance ingredient in perfumery and may be used in cosmetic/personal care formulations to impart scent; it can function as a solvent or processing aid in coatings, inks, and adhesives; it may appear as a fragrance component in household products and cleaners; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 443.41
    methanol 641.16
    isopropanol 454.06
    water 32.63
    ethyl acetate 386.37
    n-propanol 421.23
    acetone 413.7
    n-butanol 400.42
    acetonitrile 318.1
    DMF 779.88
    toluene 267.29
    isobutanol 372.87
    1,4-dioxane 535.84
    methyl acetate 408.32
    THF 733.03
    2-butanone 391.51
    n-pentanol 288.71
    sec-butanol 470.1
    n-hexane 179.07
    ethylene glycol 170.56
    NMP 831.11
    cyclohexane 132.83
    DMSO 374.6
    n-butyl acetate 188.66
    n-octanol 238.27
    chloroform 628.32
    n-propyl acetate 165.9
    acetic acid 345.1
    dichloromethane 514.16
    cyclohexanone 496.22
    propylene glycol 241.77
    isopropyl acetate 244.05
    DMAc 926.49
    2-ethoxyethanol 345.14
    isopentanol 328.95
    n-heptane 73.45
    ethyl formate 240.03
    1,2-dichloroethane 284.54
    n-hexanol 411.31
    2-methoxyethanol 592.44
    isobutyl acetate 123.94
    tetrachloromethane 144.45
    n-pentyl acetate 157.29
    transcutol 605.71
    n-heptanol 165.06
    ethylbenzene 170.7
    MIBK 242.05
    2-propoxyethanol 542.99
    tert-butanol 567.26
    MTBE 470.14
    2-butoxyethanol 217.5
    propionic acid 338.96
    o-xylene 224.04
    formic acid 178.33
    diethyl ether 438.3
    m-xylene 246.96
    p-xylene 203.81
    chlorobenzene 223.0
    dimethyl carbonate 170.56
    n-octane 38.34
    formamide 138.95
    cyclopentanone 495.25
    2-pentanone 346.71
    anisole 249.3
    cyclopentyl methyl ether 484.15
    gamma-butyrolactone 565.51
    1-methoxy-2-propanol 524.31
    pyridine 272.7
    3-pentanone 312.14
    furfural 429.58
    n-dodecane 34.85
    diethylene glycol 382.0
    diisopropyl ether 170.07
    tert-amyl alcohol 528.96
    acetylacetone 357.93
    n-hexadecane 37.51
    acetophenone 214.17
    methyl propionate 353.37
    isopentyl acetate 188.31
    trichloroethylene 449.87
    n-nonanol 196.77
    cyclohexanol 419.76
    benzyl alcohol 191.27
    2-ethylhexanol 211.96
    isooctanol 130.95
    dipropyl ether 186.68
    1,2-dichlorobenzene 210.08
    ethyl lactate 132.09
    propylene carbonate 311.59
    n-methylformamide 317.7
    2-pentanol 345.13
    n-pentane 138.99
    1-propoxy-2-propanol 331.24
    1-methoxy-2-propyl acetate 250.37
    2-(2-methoxypropoxy) propanol 258.1
    mesitylene 158.42
    ε-caprolactone 469.78
    p-cymene 96.04
    epichlorohydrin 470.02
    1,1,1-trichloroethane 375.62
    2-aminoethanol 268.74
    morpholine-4-carbaldehyde 657.16
    sulfolane 601.55
    2,2,4-trimethylpentane 83.02
    2-methyltetrahydrofuran 604.02
    n-hexyl acetate 309.05
    isooctane 50.34
    2-(2-butoxyethoxy)ethanol 288.23
    sec-butyl acetate 151.44
    tert-butyl acetate 295.39
    decalin 85.71
    glycerin 316.16
    diglyme 419.78
    acrylic acid 257.49
    isopropyl myristate 129.86
    n-butyric acid 358.49
    acetyl acetate 235.51
    di(2-ethylhexyl) phthalate 119.24
    ethyl propionate 219.9
    nitromethane 475.71
    1,2-diethoxyethane 207.9
    benzonitrile 206.95
    trioctyl phosphate 90.1
    1-bromopropane 296.56
    gamma-valerolactone 616.17
    n-decanol 146.15
    triethyl phosphate 98.96
    4-methyl-2-pentanol 202.29
    propionitrile 278.17
    vinylene carbonate 273.5
    1,1,2-trichlorotrifluoroethane 377.94
    DMS 226.78
    cumene 130.05
    2-octanol 148.19
    2-hexanone 217.92
    octyl acetate 164.76
    limonene 148.98
    1,2-dimethoxyethane 513.06
    ethyl orthosilicate 101.1
    tributyl phosphate 107.34
    diacetone alcohol 340.75
    N,N-dimethylaniline 218.83
    acrylonitrile 285.28
    aniline 231.22
    1,3-propanediol 320.11
    bromobenzene 215.33
    dibromomethane 386.26
    1,1,2,2-tetrachloroethane 438.95
    2-methyl-cyclohexyl acetate 161.9
    tetrabutyl urea 146.4
    diisobutyl methanol 111.47
    2-phenylethanol 211.5
    styrene 169.55
    dioctyl adipate 160.86
    dimethyl sulfate 286.26
    ethyl butyrate 151.01
    methyl lactate 223.36
    butyl lactate 133.28
    diethyl carbonate 107.83
    propanediol butyl ether 246.37
    triethyl orthoformate 117.26
    p-tert-butyltoluene 103.61
    methyl 4-tert-butylbenzoate 225.96
    morpholine 581.2
    tert-butylamine 372.85
    n-dodecanol 110.85
    dimethoxymethane 474.22
    ethylene carbonate 231.22
    cyrene 233.82
    2-ethoxyethyl acetate 187.24
    2-ethylhexyl acetate 159.35
    1,2,4-trichlorobenzene 245.65
    4-methylpyridine 415.3
    dibutyl ether 185.56
    2,6-dimethyl-4-heptanol 111.47
    DEF 427.66
    dimethyl isosorbide 375.41
    tetrachloroethylene 289.75
    eugenol 204.62
    triacetin 234.99
    span 80 232.38
    1,4-butanediol 160.83
    1,1-dichloroethane 393.4
    2-methyl-1-pentanol 257.5
    methyl formate 279.37
    2-methyl-1-butanol 368.45
    n-decane 55.82
    butyronitrile 280.72
    3,7-dimethyl-1-octanol 204.85
    1-chlorooctane 151.35
    1-chlorotetradecane 70.95
    n-nonane 59.62
    undecane 42.57
    tert-butylcyclohexane 96.88
    cyclooctane 63.11
    cyclopentanol 413.26
    tetrahydropyran 516.09
    tert-amyl methyl ether 426.76
    2,5,8-trioxanonane 332.58
    1-hexene 283.11
    2-isopropoxyethanol 260.5
    2,2,2-trifluoroethanol 158.55
    methyl butyrate 243.1

    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