4-Penten-2-ol, 4-methyl-, 2-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67845-37-8

    Molecular formula
    C8H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.59%
    Green 69.91%
    Herbal 48.83%
    Floral 44.16%
    Fresh 39.89%
    Tropical 38.42%
    Sweet 37.56%
    Apple 33.95%
    Banana 32.1%
    Spicy 30.29%

     

    Flavor
    Fruity 56.36%
    Tropical 44.51%
    Sweet 43.3%
    Herbal 38.1%
    Woody 34.07%
    Lavender 33.65%
    Green 33.29%
    Citrus 29.24%
    Floral 27.88%
    Fresh 25.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.73 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point

    • 57.93 ˚C est.

  • Synonyms

    • 1,3-Dimethylbut-3-enyl acetate
    • 67845-37-8
    • 4-Penten-2-ol, 4-methyl-, acetate
    • 4-Penten-2-ol, 4-methyl-, 2-acetate
    • DTXSID90886936
    • RefChem:100297
    • DTXCID501026252
    • 4-methylpent-4-en-2-yl acetate
    • 4-Methyl-4-penten-2-ol acetate
    • SCHEMBL11151140
    • AJUUJHNDKPSRQF-UHFFFAOYSA-N
    • 67845-37-8

  • Applications

    4-Penten-2-ol, 4-methyl-, 2-acetate (67845-37-8) is used primarily as a fragrance intermediate and potential fixative in perfumery, contributing to aroma profiles through its allylic ester functionality. It may also be used in cosmetics and personal care formulations as a fragrance component or aroma ingredient. As an organic intermediate, it serves in industrial manufacturing for the synthesis of more complex aroma chemicals and other functional materials. In polymer and plastics chemistry, it can be used as a reactive monomer precursor for specialized polymers or as a building block in aroma-containing materials. In coatings, inks, and cleaning formulations, it may be applied as a fragrance additive or odor carrier where a mild, lasting note is desirable. Usage is subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1921.22
    methanol 2864.77
    isopropanol 1269.16
    water 94.69
    ethyl acetate 626.45
    n-propanol 1133.04
    acetone 980.12
    n-butanol 1059.97
    acetonitrile 844.13
    DMF 1206.56
    toluene 206.57
    isobutanol 740.98
    1,4-dioxane 1697.45
    methyl acetate 614.5
    THF 2085.08
    2-butanone 506.6
    n-pentanol 636.08
    sec-butanol 903.68
    n-hexane 155.93
    ethylene glycol 511.63
    NMP 1185.68
    cyclohexane 225.94
    DMSO 689.27
    n-butyl acetate 365.96
    n-octanol 456.88
    chloroform 1132.98
    n-propyl acetate 316.22
    acetic acid 1954.73
    dichloromethane 948.42
    cyclohexanone 973.86
    propylene glycol 651.39
    isopropyl acetate 359.07
    DMAc 1026.85
    2-ethoxyethanol 764.57
    isopentanol 714.87
    n-heptane 110.08
    ethyl formate 614.62
    1,2-dichloroethane 461.31
    n-hexanol 819.67
    2-methoxyethanol 1577.36
    isobutyl acetate 190.55
    tetrachloromethane 177.47
    n-pentyl acetate 267.78
    transcutol 1926.91
    n-heptanol 284.04
    ethylbenzene 137.93
    MIBK 290.77
    2-propoxyethanol 1087.88
    tert-butanol 1150.86
    MTBE 576.44
    2-butoxyethanol 432.2
    propionic acid 921.37
    o-xylene 169.3
    formic acid 967.32
    diethyl ether 719.01
    m-xylene 165.3
    p-xylene 178.31
    chlorobenzene 279.66
    dimethyl carbonate 233.76
    n-octane 35.7
    formamide 661.7
    cyclopentanone 846.2
    2-pentanone 502.52
    anisole 306.11
    cyclopentyl methyl ether 812.71
    gamma-butyrolactone 1167.4
    1-methoxy-2-propanol 1022.69
    pyridine 566.37
    3-pentanone 329.69
    furfural 906.74
    n-dodecane 34.32
    diethylene glycol 826.17
    diisopropyl ether 180.04
    tert-amyl alcohol 872.43
    acetylacetone 523.34
    n-hexadecane 37.21
    acetophenone 271.6
    methyl propionate 475.8
    isopentyl acetate 293.51
    trichloroethylene 754.78
    n-nonanol 369.17
    cyclohexanol 990.62
    benzyl alcohol 335.8
    2-ethylhexanol 361.55
    isooctanol 198.48
    dipropyl ether 359.33
    1,2-dichlorobenzene 249.41
    ethyl lactate 214.33
    propylene carbonate 699.17
    n-methylformamide 777.68
    2-pentanol 636.03
    n-pentane 161.72
    1-propoxy-2-propanol 637.39
    1-methoxy-2-propyl acetate 399.73
    2-(2-methoxypropoxy) propanol 463.14
    mesitylene 106.5
    ε-caprolactone 910.65
    p-cymene 109.99
    epichlorohydrin 975.73
    1,1,1-trichloroethane 470.39
    2-aminoethanol 831.98
    morpholine-4-carbaldehyde 1354.78
    sulfolane 850.84
    2,2,4-trimethylpentane 63.36
    2-methyltetrahydrofuran 1313.29
    n-hexyl acetate 548.36
    isooctane 39.36
    2-(2-butoxyethoxy)ethanol 715.16
    sec-butyl acetate 204.46
    tert-butyl acetate 352.03
    decalin 79.72
    glycerin 732.92
    diglyme 960.54
    acrylic acid 695.66
    isopropyl myristate 197.97
    n-butyric acid 1063.88
    acetyl acetate 450.15
    di(2-ethylhexyl) phthalate 194.42
    ethyl propionate 301.8
    nitromethane 1484.46
    1,2-diethoxyethane 496.39
    benzonitrile 354.01
    trioctyl phosphate 148.6
    1-bromopropane 355.14
    gamma-valerolactone 1388.61
    n-decanol 256.37
    triethyl phosphate 145.51
    4-methyl-2-pentanol 280.99
    propionitrile 516.69
    vinylene carbonate 635.93
    1,1,2-trichlorotrifluoroethane 742.03
    DMS 333.05
    cumene 107.62
    2-octanol 226.46
    2-hexanone 331.97
    octyl acetate 283.08
    limonene 201.38
    1,2-dimethoxyethane 1119.22
    ethyl orthosilicate 143.98
    tributyl phosphate 184.27
    diacetone alcohol 479.15
    N,N-dimethylaniline 221.5
    acrylonitrile 513.67
    aniline 353.73
    1,3-propanediol 990.73
    bromobenzene 230.04
    dibromomethane 628.58
    1,1,2,2-tetrachloroethane 637.78
    2-methyl-cyclohexyl acetate 244.37
    tetrabutyl urea 243.45
    diisobutyl methanol 162.41
    2-phenylethanol 369.29
    styrene 152.36
    dioctyl adipate 298.04
    dimethyl sulfate 272.58
    ethyl butyrate 265.41
    methyl lactate 339.05
    butyl lactate 250.28
    diethyl carbonate 201.08
    propanediol butyl ether 559.38
    triethyl orthoformate 209.12
    p-tert-butyltoluene 110.1
    methyl 4-tert-butylbenzoate 308.6
    morpholine 1796.25
    tert-butylamine 709.36
    n-dodecanol 183.84
    dimethoxymethane 885.15
    ethylene carbonate 565.38
    cyrene 369.79
    2-ethoxyethyl acetate 360.72
    2-ethylhexyl acetate 230.09
    1,2,4-trichlorobenzene 305.47
    4-methylpyridine 621.56
    dibutyl ether 359.94
    2,6-dimethyl-4-heptanol 162.41
    DEF 609.12
    dimethyl isosorbide 664.99
    tetrachloroethylene 437.86
    eugenol 314.89
    triacetin 443.46
    span 80 492.99
    1,4-butanediol 413.83
    1,1-dichloroethane 534.74
    2-methyl-1-pentanol 479.06
    methyl formate 668.37
    2-methyl-1-butanol 691.39
    n-decane 59.4
    butyronitrile 631.73
    3,7-dimethyl-1-octanol 332.35
    1-chlorooctane 195.22
    1-chlorotetradecane 81.41
    n-nonane 62.46
    undecane 42.99
    tert-butylcyclohexane 73.42
    cyclooctane 65.12
    cyclopentanol 962.93
    tetrahydropyran 1377.0
    tert-amyl methyl ether 442.73
    2,5,8-trioxanonane 737.63
    1-hexene 329.1
    2-isopropoxyethanol 444.52
    2,2,2-trifluoroethanol 536.59
    methyl butyrate 408.5

    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