4-Methyl-4-penten-1-ol

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  • Identifiers

    CAS number
    22508-64-1

    Molecular formula
    C6H12O

    SMILES
    CC(=C)CCCO

    Safety labels

  • Odor profile

    Fragrance
    Green 81.4%
    Fruity 71.81%
    Herbal 60.72%
    Sweet 52.38%
    Oily 49.54%
    Fresh 49.0%
    Earthy 44.91%
    Fatty 44.35%
    Floral 43.63%
    Vegetable 39.96%

     

    Flavor
    Green 49.91%
    Fruity 37.79%
    Herbal 37.6%
    Spicy 32.13%
    Sweet 32.06%
    Earthy 31.44%
    Ethereal 30.74%
    Oily 27.58%
    Mushroom 27.31%
    Herb 26.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.17 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    156°C

    Flash point

    • 49.58 ˚C est.

  • Synonyms

    • 4-METHYL-4-PENTEN-1-OL
    • 4-methylpent-4-en-1-ol
    • 4-Methylpent-4-ene-1-ol
    • 4-Penten-1-ol, 4-methyl-
    • DG4X78WZ6A
    • DTXSID10177030
    • RefChem:99792
    • DTXCID5099521
    • 22508-64-1
    • 4-Penten-1-ol,4-methyl-
    • MFCD00046021
    • EINECS 245-046-4
    • 4-methyl-4-pentenol
    • UNII-DG4X78WZ6A
    • 4-methyl-4-pentene-1-ol
    • YSWG270
    • SCHEMBL466793
    • SCHEMBL716531
    • SCHEMBL2530908
    • SCHEMBL7638573
    • AKOS006274837
    • BS-24898
    • DB-106928
    • CS-0132697
    • NS00027204
    • EN300-108545
    • F1913-0541
    • 22508-64-1

  • Applications

    4-Methyl-4-penten-1-ol (CAS 22508-64-1) is primarily used as a chemical intermediate in organic synthesis. In the fragrance and flavor industries, it serves as a precursor for odor-active compounds and as a building block for aroma ingredients. In cosmetics and personal care, it functions as a reactive intermediate for synthesizing esters and other derivatives used in fragrance formulations. In industrial manufacturing, it is employed as a building block for specialty polymers and resins, and as a precursor to further functionalized compounds used in coatings. It may also be evaluated for use as a synthetic intermediate in other specialty chemicals, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 656.26
    methanol 779.52
    isopropanol 496.8
    water 16.16
    ethyl acetate 119.16
    n-propanol 503.56
    acetone 196.98
    n-butanol 453.42
    acetonitrile 123.05
    DMF 305.78
    toluene 36.16
    isobutanol 332.31
    1,4-dioxane 260.24
    methyl acetate 139.37
    THF 355.35
    2-butanone 158.24
    n-pentanol 247.17
    sec-butanol 391.4
    n-hexane 27.85
    ethylene glycol 318.61
    NMP 205.48
    cyclohexane 21.18
    DMSO 252.17
    n-butyl acetate 174.99
    n-octanol 139.94
    chloroform 210.41
    n-propyl acetate 86.69
    acetic acid 368.27
    dichloromethane 116.59
    cyclohexanone 186.03
    propylene glycol 394.66
    isopropyl acetate 71.95
    DMAc 193.89
    2-ethoxyethanol 297.73
    isopentanol 288.45
    n-heptane 45.99
    ethyl formate 105.44
    1,2-dichloroethane 73.08
    n-hexanol 495.05
    2-methoxyethanol 538.41
    isobutyl acetate 67.93
    tetrachloromethane 63.81
    n-pentyl acetate 77.78
    transcutol 512.44
    n-heptanol 181.79
    ethylbenzene 27.17
    MIBK 86.46
    2-propoxyethanol 536.03
    tert-butanol 515.94
    MTBE 184.81
    2-butoxyethanol 260.55
    propionic acid 308.47
    o-xylene 36.13
    formic acid 202.64
    diethyl ether 127.31
    m-xylene 40.53
    p-xylene 34.37
    chlorobenzene 49.39
    dimethyl carbonate 35.59
    n-octane 13.32
    formamide 124.57
    cyclopentanone 216.14
    2-pentanone 129.49
    anisole 77.79
    cyclopentyl methyl ether 154.32
    gamma-butyrolactone 201.39
    1-methoxy-2-propanol 397.97
    pyridine 125.64
    3-pentanone 77.27
    furfural 208.72
    n-dodecane 9.35
    diethylene glycol 428.26
    diisopropyl ether 41.72
    tert-amyl alcohol 354.71
    acetylacetone 97.78
    n-hexadecane 9.81
    acetophenone 68.67
    methyl propionate 97.43
    isopentyl acetate 138.7
    trichloroethylene 152.41
    n-nonanol 112.42
    cyclohexanol 226.07
    benzyl alcohol 100.11
    2-ethylhexanol 212.27
    isooctanol 126.99
    dipropyl ether 152.11
    1,2-dichlorobenzene 49.58
    ethyl lactate 81.18
    propylene carbonate 117.26
    n-methylformamide 193.59
    2-pentanol 259.0
    n-pentane 26.34
    1-propoxy-2-propanol 395.25
    1-methoxy-2-propyl acetate 138.5
    2-(2-methoxypropoxy) propanol 180.78
    mesitylene 28.06
    ε-caprolactone 159.47
    p-cymene 41.86
    epichlorohydrin 174.69
    1,1,1-trichloroethane 97.86
    2-aminoethanol 512.94
    morpholine-4-carbaldehyde 265.45
    sulfolane 204.8
    2,2,4-trimethylpentane 18.91
    2-methyltetrahydrofuran 259.97
    n-hexyl acetate 113.48
    isooctane 17.71
    2-(2-butoxyethoxy)ethanol 249.55
    sec-butyl acetate 58.08
    tert-butyl acetate 90.18
    decalin 14.77
    glycerin 415.65
    diglyme 335.77
    acrylic acid 239.65
    isopropyl myristate 47.26
    n-butyric acid 320.96
    acetyl acetate 65.19
    di(2-ethylhexyl) phthalate 59.39
    ethyl propionate 68.04
    nitromethane 218.74
    1,2-diethoxyethane 129.29
    benzonitrile 87.46
    trioctyl phosphate 50.44
    1-bromopropane 69.25
    gamma-valerolactone 279.39
    n-decanol 83.01
    triethyl phosphate 50.21
    4-methyl-2-pentanol 134.6
    propionitrile 139.65
    vinylene carbonate 104.82
    1,1,2-trichlorotrifluoroethane 237.1
    DMS 59.61
    cumene 28.59
    2-octanol 95.32
    2-hexanone 102.86
    octyl acetate 64.71
    limonene 72.46
    1,2-dimethoxyethane 264.45
    ethyl orthosilicate 55.63
    tributyl phosphate 51.05
    diacetone alcohol 178.09
    N,N-dimethylaniline 60.41
    acrylonitrile 145.82
    aniline 95.65
    1,3-propanediol 483.94
    bromobenzene 37.0
    dibromomethane 92.19
    1,1,2,2-tetrachloroethane 146.69
    2-methyl-cyclohexyl acetate 88.57
    tetrabutyl urea 67.28
    diisobutyl methanol 104.39
    2-phenylethanol 137.69
    styrene 30.15
    dioctyl adipate 64.07
    dimethyl sulfate 59.07
    ethyl butyrate 106.38
    methyl lactate 106.24
    butyl lactate 97.67
    diethyl carbonate 61.68
    propanediol butyl ether 238.99
    triethyl orthoformate 84.89
    p-tert-butyltoluene 43.53
    methyl 4-tert-butylbenzoate 92.61
    morpholine 351.04
    tert-butylamine 312.16
    n-dodecanol 61.86
    dimethoxymethane 143.01
    ethylene carbonate 86.08
    cyrene 124.47
    2-ethoxyethyl acetate 96.04
    2-ethylhexyl acetate 101.27
    1,2,4-trichlorobenzene 62.56
    4-methylpyridine 121.69
    dibutyl ether 78.72
    2,6-dimethyl-4-heptanol 104.39
    DEF 137.24
    dimethyl isosorbide 205.53
    tetrachloroethylene 120.45
    eugenol 117.26
    triacetin 90.4
    span 80 186.21
    1,4-butanediol 212.29
    1,1-dichloroethane 108.93
    2-methyl-1-pentanol 183.75
    methyl formate 112.93
    2-methyl-1-butanol 280.21
    n-decane 16.24
    butyronitrile 165.8
    3,7-dimethyl-1-octanol 125.35
    1-chlorooctane 50.55
    1-chlorotetradecane 20.84
    n-nonane 16.59
    undecane 11.75
    tert-butylcyclohexane 21.31
    cyclooctane 9.35
    cyclopentanol 284.48
    tetrahydropyran 228.71
    tert-amyl methyl ether 132.01
    2,5,8-trioxanonane 244.04
    1-hexene 77.88
    2-isopropoxyethanol 206.45
    2,2,2-trifluoroethanol 106.89
    methyl butyrate 97.62

    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