2-Methyl-3-penten-2-ol

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  • Identifiers

    CAS number
    63468-05-3

    Molecular formula
    C6H12O

    SMILES
    CC=CC(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 66.87%
    Fruity 64.89%
    Herbal 61.42%
    Earthy 51.7%
    Fresh 44.18%
    Ethereal 40.06%
    Oily 38.11%
    Fermented 38.04%
    Pungent 36.32%
    Musty 35.67%

     

    Flavor
    Green 51.21%
    Herbal 47.25%
    Sweet 42.78%
    Herb 40.42%
    Oily 39.36%
    Citrus 39.16%
    Floral 38.49%
    Woody 37.8%
    Lavender 36.08%
    Earthy 34.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.98 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point

    • 31.28 ˚C est.

  • Synonyms

    • 2-Penten-4-ol, 4-methyl-
    • 4-Methyl-2-penten-4-ol
    • 2-methyl-3-penten-2-ol
    • 63468-05-3
    • 93TKK4GWH6
    • RefChem:1063719
    • 2-methylpent-3-en-2-ol
    • 3-Penten-2-ol, 2-methyl-
    • UNII-93TKK4GWH6
    • SCHEMBL712922
    • SCHEMBL712923
    • SCHEMBL1061514
    • SCHEMBL29220335
    • DTXSID50871449
    • 63468-05-3

  • Applications

    2-Methyl-3-penten-2-ol (CAS 63468-05-3) is used as a synthetic intermediate and fragrance-related precursor in the flavor-and-fragrance industries; in perfumery it serves as an odorant precursor and can be elaborated into other aroma compounds; in cosmetics and personal care it functions as a fragrance ingredient within formulations; it is evaluated as a flavor/aroma intermediate in food processing under regulatory allowances; in industrial manufacturing it acts as a reactive building block for organic synthesis, including oxidation or derivatization to produce aroma-related derivatives; and in household cleaning products it serves as a fragrance additive contributing to product scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1474.66
    methanol 1761.64
    isopropanol 1134.96
    water 49.9
    ethyl acetate 433.64
    n-propanol 1119.83
    acetone 506.68
    n-butanol 1180.86
    acetonitrile 394.53
    DMF 495.22
    toluene 172.43
    isobutanol 784.7
    1,4-dioxane 855.7
    methyl acetate 413.26
    THF 1226.2
    2-butanone 465.53
    n-pentanol 650.51
    sec-butanol 1054.4
    n-hexane 603.75
    ethylene glycol 442.98
    NMP 573.1
    cyclohexane 394.32
    DMSO 327.62
    n-butyl acetate 401.18
    n-octanol 593.32
    chloroform 619.54
    n-propyl acetate 238.34
    acetic acid 737.56
    dichloromethane 401.92
    cyclohexanone 568.66
    propylene glycol 623.22
    isopropyl acetate 279.95
    DMAc 488.53
    2-ethoxyethanol 589.94
    isopentanol 790.39
    n-heptane 492.07
    ethyl formate 295.62
    1,2-dichloroethane 250.95
    n-hexanol 1428.63
    2-methoxyethanol 1066.08
    isobutyl acetate 176.21
    tetrachloromethane 238.36
    n-pentyl acetate 282.02
    transcutol 1167.6
    n-heptanol 545.93
    ethylbenzene 117.98
    MIBK 273.46
    2-propoxyethanol 1192.49
    tert-butanol 1194.48
    MTBE 827.87
    2-butoxyethanol 570.61
    propionic acid 638.72
    o-xylene 151.47
    formic acid 424.64
    diethyl ether 819.15
    m-xylene 162.24
    p-xylene 145.05
    chlorobenzene 154.29
    dimethyl carbonate 119.14
    n-octane 147.34
    formamide 237.64
    cyclopentanone 517.7
    2-pentanone 451.34
    anisole 209.98
    cyclopentyl methyl ether 659.97
    gamma-butyrolactone 498.95
    1-methoxy-2-propanol 797.37
    pyridine 280.92
    3-pentanone 336.64
    furfural 344.6
    n-dodecane 90.54
    diethylene glycol 754.38
    diisopropyl ether 318.84
    tert-amyl alcohol 1112.81
    acetylacetone 282.91
    n-hexadecane 91.5
    acetophenone 157.18
    methyl propionate 330.6
    isopentyl acetate 335.42
    trichloroethylene 332.07
    n-nonanol 482.47
    cyclohexanol 849.69
    benzyl alcohol 196.25
    2-ethylhexanol 689.89
    isooctanol 362.96
    dipropyl ether 612.46
    1,2-dichlorobenzene 132.62
    ethyl lactate 171.7
    propylene carbonate 309.18
    n-methylformamide 346.63
    2-pentanol 829.15
    n-pentane 563.53
    1-propoxy-2-propanol 863.52
    1-methoxy-2-propyl acetate 344.48
    2-(2-methoxypropoxy) propanol 403.06
    mesitylene 114.81
    ε-caprolactone 528.17
    p-cymene 131.56
    epichlorohydrin 441.1
    1,1,1-trichloroethane 332.61
    2-aminoethanol 723.72
    morpholine-4-carbaldehyde 603.28
    sulfolane 419.59
    2,2,4-trimethylpentane 204.62
    2-methyltetrahydrofuran 949.75
    n-hexyl acetate 502.35
    isooctane 151.01
    2-(2-butoxyethoxy)ethanol 575.28
    sec-butyl acetate 186.82
    tert-butyl acetate 333.41
    decalin 141.71
    glycerin 675.72
    diglyme 697.68
    acrylic acid 412.25
    isopropyl myristate 199.48
    n-butyric acid 726.64
    acetyl acetate 225.71
    di(2-ethylhexyl) phthalate 157.22
    ethyl propionate 232.25
    nitromethane 447.01
    1,2-diethoxyethane 446.7
    benzonitrile 174.75
    trioctyl phosphate 147.97
    1-bromopropane 369.54
    gamma-valerolactone 616.15
    n-decanol 348.07
    triethyl phosphate 124.43
    4-methyl-2-pentanol 420.23
    propionitrile 388.32
    vinylene carbonate 235.6
    1,1,2-trichlorotrifluoroethane 412.62
    DMS 191.93
    cumene 105.74
    2-octanol 382.14
    2-hexanone 325.25
    octyl acetate 263.4
    limonene 270.36
    1,2-dimethoxyethane 697.59
    ethyl orthosilicate 144.56
    tributyl phosphate 164.35
    diacetone alcohol 412.65
    N,N-dimethylaniline 169.68
    acrylonitrile 288.97
    aniline 254.75
    1,3-propanediol 801.0
    bromobenzene 128.27
    dibromomethane 362.63
    1,1,2,2-tetrachloroethane 335.04
    2-methyl-cyclohexyl acetate 238.37
    tetrabutyl urea 203.86
    diisobutyl methanol 290.72
    2-phenylethanol 308.06
    styrene 117.01
    dioctyl adipate 213.09
    dimethyl sulfate 136.6
    ethyl butyrate 254.86
    methyl lactate 228.33
    butyl lactate 240.69
    diethyl carbonate 147.03
    propanediol butyl ether 561.43
    triethyl orthoformate 207.69
    p-tert-butyltoluene 143.62
    methyl 4-tert-butylbenzoate 241.18
    morpholine 997.83
    tert-butylamine 985.45
    n-dodecanol 266.67
    dimethoxymethane 438.32
    ethylene carbonate 237.31
    cyrene 257.06
    2-ethoxyethyl acetate 277.37
    2-ethylhexyl acetate 284.84
    1,2,4-trichlorobenzene 161.08
    4-methylpyridine 326.94
    dibutyl ether 441.59
    2,6-dimethyl-4-heptanol 290.72
    DEF 418.89
    dimethyl isosorbide 458.45
    tetrachloroethylene 262.63
    eugenol 240.9
    triacetin 269.8
    span 80 453.0
    1,4-butanediol 359.43
    1,1-dichloroethane 355.06
    2-methyl-1-pentanol 505.74
    methyl formate 250.06
    2-methyl-1-butanol 824.57
    n-decane 158.5
    butyronitrile 462.98
    3,7-dimethyl-1-octanol 440.79
    1-chlorooctane 284.61
    1-chlorotetradecane 126.63
    n-nonane 180.34
    undecane 113.91
    tert-butylcyclohexane 183.67
    cyclooctane 172.88
    cyclopentanol 758.27
    tetrahydropyran 1011.94
    tert-amyl methyl ether 658.97
    2,5,8-trioxanonane 514.41
    1-hexene 670.9
    2-isopropoxyethanol 452.74
    2,2,2-trifluoroethanol 245.18
    methyl butyrate 276.04

    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