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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2004-67-3

    Molecular formula
    C6H12O

    SMILES
    CC(CC(=C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 78.1%
    Floral 54.06%
    Herbal 51.82%
    Fruity 50.54%
    Earthy 44.76%
    Fresh 40.98%
    Sweet 37.61%
    Oily 37.46%
    Vegetable 34.67%
    Musty 30.73%

     

    Flavor
    Green 38.49%
    Tropical 33.48%
    Oily 30.66%
    Herbal 30.08%
    Sweet 29.01%
    Earthy 24.94%
    Herb 24.55%
    Fruity 23.59%
    Spicy 23.27%
    Sulfurous 22.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.72 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    127°C

    Flash point

    • 39.01 ˚C est.

  • Synonyms

    • 4-Penten-2-ol, 4-methyl-
    • RefChem:526234
    • 4-Methyl-4-penten-2-ol
    • 4-Methylpent-4-en-2-ol
    • 2004-67-3
    • (R)-4-methylpent-4-en-2-ol
    • 4-Penten-2-ol,4-methyl-
    • AI3-14509
    • EINECS 217-907-4
    • SCHEMBL122748
    • SCHEMBL647339
    • SCHEMBL709391
    • SCHEMBL1759560
    • SCHEMBL7609915
    • SCHEMBL27983641
    • DTXSID00870922
    • AKOS006273509
    • DB-045070
    • NS00045019
    • EN300-1868404
    • 2004-67-3

  • Applications

    This compound is primarily used as an intermediate in the synthesis of fragrance and flavor ingredients, and may serve as a reactive building block for aroma compounds. It may function as a versatile building block in specialty polymers and resin formulations, and can act as a monomer or crosslinking component in coatings and inks, including UV-curable systems. In cosmetics and personal care, it may be employed as a fragrance component in formulations subject to regulatory requirements. In broader industrial manufacturing, it is evaluated as an intermediate for diverse synthetic routes and material applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1786.54
    methanol 2438.71
    isopropanol 1137.83
    water 69.9
    ethyl acetate 333.27
    n-propanol 1180.1
    acetone 592.15
    n-butanol 1068.84
    acetonitrile 426.84
    DMF 486.06
    toluene 82.64
    isobutanol 738.15
    1,4-dioxane 767.14
    methyl acetate 379.02
    THF 1135.28
    2-butanone 440.89
    n-pentanol 601.76
    sec-butanol 894.32
    n-hexane 215.33
    ethylene glycol 590.92
    NMP 546.75
    cyclohexane 160.86
    DMSO 384.3
    n-butyl acetate 371.4
    n-octanol 423.77
    chloroform 362.33
    n-propyl acetate 214.85
    acetic acid 1229.32
    dichloromethane 233.35
    cyclohexanone 553.52
    propylene glycol 714.85
    isopropyl acetate 204.4
    DMAc 411.9
    2-ethoxyethanol 605.25
    isopentanol 654.62
    n-heptane 235.25
    ethyl formate 259.48
    1,2-dichloroethane 171.37
    n-hexanol 1221.08
    2-methoxyethanol 1076.57
    isobutyl acetate 157.17
    tetrachloromethane 115.26
    n-pentyl acetate 202.45
    transcutol 1246.58
    n-heptanol 406.68
    ethylbenzene 57.59
    MIBK 235.53
    2-propoxyethanol 1076.39
    tert-butanol 1066.43
    MTBE 577.41
    2-butoxyethanol 485.37
    propionic acid 725.2
    o-xylene 78.78
    formic acid 681.55
    diethyl ether 561.47
    m-xylene 82.1
    p-xylene 77.27
    chlorobenzene 104.36
    dimethyl carbonate 90.74
    n-octane 57.49
    formamide 317.73
    cyclopentanone 505.7
    2-pentanone 386.5
    anisole 143.81
    cyclopentyl methyl ether 470.76
    gamma-butyrolactone 525.74
    1-methoxy-2-propanol 684.32
    pyridine 252.31
    3-pentanone 258.29
    furfural 370.53
    n-dodecane 39.98
    diethylene glycol 792.67
    diisopropyl ether 181.81
    tert-amyl alcohol 816.02
    acetylacetone 248.78
    n-hexadecane 40.87
    acetophenone 120.47
    methyl propionate 253.13
    isopentyl acetate 301.75
    trichloroethylene 247.44
    n-nonanol 331.16
    cyclohexanol 691.08
    benzyl alcohol 166.19
    2-ethylhexanol 530.64
    isooctanol 257.92
    dipropyl ether 452.38
    1,2-dichlorobenzene 89.32
    ethyl lactate 137.15
    propylene carbonate 284.73
    n-methylformamide 408.21
    2-pentanol 630.6
    n-pentane 219.25
    1-propoxy-2-propanol 731.9
    1-methoxy-2-propyl acetate 289.71
    2-(2-methoxypropoxy) propanol 363.91
    mesitylene 60.33
    ε-caprolactone 472.18
    p-cymene 88.19
    epichlorohydrin 411.05
    1,1,1-trichloroethane 200.62
    2-aminoethanol 916.84
    morpholine-4-carbaldehyde 555.19
    sulfolane 428.44
    2,2,4-trimethylpentane 93.15
    2-methyltetrahydrofuran 810.41
    n-hexyl acetate 382.28
    isooctane 69.41
    2-(2-butoxyethoxy)ethanol 540.43
    sec-butyl acetate 141.76
    tert-butyl acetate 251.22
    decalin 60.63
    glycerin 775.65
    diglyme 642.49
    acrylic acid 496.77
    isopropyl myristate 148.39
    n-butyric acid 711.52
    acetyl acetate 187.63
    di(2-ethylhexyl) phthalate 135.87
    ethyl propionate 165.74
    nitromethane 625.12
    1,2-diethoxyethane 351.28
    benzonitrile 156.58
    trioctyl phosphate 119.5
    1-bromopropane 200.28
    gamma-valerolactone 661.07
    n-decanol 239.41
    triethyl phosphate 93.25
    4-methyl-2-pentanol 306.66
    propionitrile 345.62
    vinylene carbonate 218.78
    1,1,2-trichlorotrifluoroethane 377.63
    DMS 161.14
    cumene 57.23
    2-octanol 245.62
    2-hexanone 289.55
    octyl acetate 201.85
    limonene 190.78
    1,2-dimethoxyethane 651.74
    ethyl orthosilicate 106.4
    tributyl phosphate 135.95
    diacetone alcohol 354.36
    N,N-dimethylaniline 104.35
    acrylonitrile 266.03
    aniline 179.7
    1,3-propanediol 922.41
    bromobenzene 71.71
    dibromomethane 197.25
    1,1,2,2-tetrachloroethane 231.03
    2-methyl-cyclohexyl acetate 193.83
    tetrabutyl urea 167.74
    diisobutyl methanol 214.85
    2-phenylethanol 260.09
    styrene 60.41
    dioctyl adipate 174.61
    dimethyl sulfate 107.24
    ethyl butyrate 202.89
    methyl lactate 190.59
    butyl lactate 196.54
    diethyl carbonate 114.52
    propanediol butyl ether 496.03
    triethyl orthoformate 164.26
    p-tert-butyltoluene 92.59
    methyl 4-tert-butylbenzoate 191.56
    morpholine 921.25
    tert-butylamine 735.77
    n-dodecanol 183.82
    dimethoxymethane 353.77
    ethylene carbonate 215.49
    cyrene 227.7
    2-ethoxyethyl acetate 221.18
    2-ethylhexyl acetate 241.67
    1,2,4-trichlorobenzene 115.96
    4-methylpyridine 238.72
    dibutyl ether 300.98
    2,6-dimethyl-4-heptanol 214.85
    DEF 320.74
    dimethyl isosorbide 434.69
    tetrachloroethylene 197.88
    eugenol 203.67
    triacetin 230.55
    span 80 403.26
    1,4-butanediol 396.3
    1,1-dichloroethane 225.84
    2-methyl-1-pentanol 431.23
    methyl formate 272.75
    2-methyl-1-butanol 676.97
    n-decane 72.15
    butyronitrile 396.9
    3,7-dimethyl-1-octanol 337.88
    1-chlorooctane 173.53
    1-chlorotetradecane 72.01
    n-nonane 77.54
    undecane 50.39
    tert-butylcyclohexane 78.98
    cyclooctane 62.84
    cyclopentanol 696.05
    tetrahydropyran 837.78
    tert-amyl methyl ether 419.8
    2,5,8-trioxanonane 478.7
    1-hexene 345.84
    2-isopropoxyethanol 407.01
    2,2,2-trifluoroethanol 320.21
    methyl butyrate 221.02

    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