4-Methyl-1-penten-3-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4798-45-2

    Molecular formula
    C6H12O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.79%
    Green 56.77%
    Sweet 40.81%
    Herbal 39.62%
    Ethereal 39.08%
    Pungent 39.03%
    Cheesy 36.0%
    Fresh 34.92%
    Earthy 34.87%
    Fermented 34.48%

     

    Flavor
    Fruity 44.9%
    Green 42.5%
    Tropical 32.89%
    Pungent 32.45%
    Ethereal 27.76%
    Bitter 27.32%
    Onion 25.67%
    Oily 24.32%
    Vegetable 21.1%
    Herb 21.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.35 (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

    • 33.91 ˚C est.

  • Synonyms

    • 4-METHYL-1-PENTEN-3-OL
    • 4-methylpent-1-en-3-ol
    • DTXSID60875630
    • RefChem:524944
    • DTXCID801013751
    • 870-235-9
    • 4798-45-2
    • 1-Penten-3-ol, 4-methyl-
    • MFCD00039848
    • NSC95412
    • 4-Methyl-1-penten-3-ol #
    • SCHEMBL2608974
    • SCHEMBL2986761
    • SCHEMBL5156423
    • SCHEMBL7564401
    • 4-?Methyl-?1-?penten-?3-?ol
    • NSC 95412
    • NSC-95412
    • AKOS006271480
    • SY503875
    • DB-051490
    • EN300-216041
    • H27941
    • A1-01310
    • 4798-45-2

  • Applications

    4-Methyl-1-penten-3-ol (CAS 4798-45-2) is primarily used as a fine-chemicals intermediate and fragrance precursor; in the fragrance and flavor sectors it serves as a scent-building block that can be converted to esters and acetates to tailor aroma profiles; in cosmetics and personal care it may function as a fragrance component; in industrial manufacturing it can act as a versatile building block for organic synthesis and for polymer-related intermediates; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 324.33
    methanol 434.45
    isopropanol 197.62
    water 2.74
    ethyl acetate 119.72
    n-propanol 243.12
    acetone 97.06
    n-butanol 276.18
    acetonitrile 92.73
    DMF 67.94
    toluene 30.5
    isobutanol 171.98
    1,4-dioxane 208.88
    methyl acetate 102.65
    THF 392.01
    2-butanone 120.39
    n-pentanol 183.65
    sec-butanol 199.76
    n-hexane 68.33
    ethylene glycol 54.8
    NMP 120.94
    cyclohexane 42.0
    DMSO 117.04
    n-butyl acetate 274.84
    n-octanol 129.51
    chloroform 222.77
    n-propyl acetate 115.92
    acetic acid 204.66
    dichloromethane 163.45
    cyclohexanone 173.93
    propylene glycol 68.82
    isopropyl acetate 81.92
    DMAc 76.88
    2-ethoxyethanol 185.03
    isopentanol 228.77
    n-heptane 72.67
    ethyl formate 95.75
    1,2-dichloroethane 90.83
    n-hexanol 342.99
    2-methoxyethanol 234.48
    isobutyl acetate 81.29
    tetrachloromethane 77.97
    n-pentyl acetate 119.78
    transcutol 543.57
    n-heptanol 153.99
    ethylbenzene 28.99
    MIBK 86.05
    2-propoxyethanol 302.84
    tert-butanol 253.76
    MTBE 195.85
    2-butoxyethanol 185.23
    propionic acid 146.2
    o-xylene 32.55
    formic acid 85.81
    diethyl ether 173.35
    m-xylene 32.26
    p-xylene 42.49
    chlorobenzene 54.34
    dimethyl carbonate 16.56
    n-octane 24.38
    formamide 65.84
    cyclopentanone 184.02
    2-pentanone 111.14
    anisole 61.52
    cyclopentyl methyl ether 157.65
    gamma-butyrolactone 184.4
    1-methoxy-2-propanol 154.37
    pyridine 96.75
    3-pentanone 72.28
    furfural 151.89
    n-dodecane 15.77
    diethylene glycol 179.57
    diisopropyl ether 72.18
    tert-amyl alcohol 242.26
    acetylacetone 73.98
    n-hexadecane 16.27
    acetophenone 59.18
    methyl propionate 66.12
    isopentyl acetate 218.28
    trichloroethylene 164.57
    n-nonanol 109.6
    cyclohexanol 162.03
    benzyl alcohol 61.51
    2-ethylhexanol 235.62
    isooctanol 125.01
    dipropyl ether 190.35
    1,2-dichlorobenzene 57.1
    ethyl lactate 51.74
    propylene carbonate 124.54
    n-methylformamide 72.33
    2-pentanol 175.33
    n-pentane 56.72
    1-propoxy-2-propanol 262.39
    1-methoxy-2-propyl acetate 142.59
    2-(2-methoxypropoxy) propanol 137.52
    mesitylene 28.21
    ε-caprolactone 167.94
    p-cymene 50.92
    epichlorohydrin 179.07
    1,1,1-trichloroethane 109.5
    2-aminoethanol 121.42
    morpholine-4-carbaldehyde 139.58
    sulfolane 178.09
    2,2,4-trimethylpentane 36.93
    2-methyltetrahydrofuran 296.36
    n-hexyl acetate 148.95
    isooctane 31.22
    2-(2-butoxyethoxy)ethanol 215.62
    sec-butyl acetate 83.65
    tert-butyl acetate 114.48
    decalin 28.0
    glycerin 87.59
    diglyme 283.02
    acrylic acid 95.12
    isopropyl myristate 64.22
    n-butyric acid 238.13
    acetyl acetate 56.81
    di(2-ethylhexyl) phthalate 60.78
    ethyl propionate 75.4
    nitromethane 124.33
    1,2-diethoxyethane 213.05
    benzonitrile 73.54
    trioctyl phosphate 53.82
    1-bromopropane 104.1
    gamma-valerolactone 200.55
    n-decanol 81.21
    triethyl phosphate 59.78
    4-methyl-2-pentanol 116.93
    propionitrile 97.84
    vinylene carbonate 89.6
    1,1,2-trichlorotrifluoroethane 129.29
    DMS 58.43
    cumene 34.08
    2-octanol 96.38
    2-hexanone 125.06
    octyl acetate 77.0
    limonene 87.27
    1,2-dimethoxyethane 218.37
    ethyl orthosilicate 70.24
    tributyl phosphate 65.55
    diacetone alcohol 128.55
    N,N-dimethylaniline 49.12
    acrylonitrile 80.25
    aniline 57.61
    1,3-propanediol 173.32
    bromobenzene 47.96
    dibromomethane 131.85
    1,1,2,2-tetrachloroethane 142.46
    2-methyl-cyclohexyl acetate 124.82
    tetrabutyl urea 67.5
    diisobutyl methanol 117.57
    2-phenylethanol 102.84
    styrene 29.51
    dioctyl adipate 80.51
    dimethyl sulfate 27.03
    ethyl butyrate 164.72
    methyl lactate 40.91
    butyl lactate 100.32
    diethyl carbonate 84.33
    propanediol butyl ether 149.83
    triethyl orthoformate 118.64
    p-tert-butyltoluene 49.94
    methyl 4-tert-butylbenzoate 85.29
    morpholine 230.74
    tert-butylamine 195.33
    n-dodecanol 61.17
    dimethoxymethane 72.96
    ethylene carbonate 82.98
    cyrene 97.05
    2-ethoxyethyl acetate 122.1
    2-ethylhexyl acetate 181.56
    1,2,4-trichlorobenzene 65.8
    4-methylpyridine 91.77
    dibutyl ether 131.08
    2,6-dimethyl-4-heptanol 117.57
    DEF 96.41
    dimethyl isosorbide 203.26
    tetrachloroethylene 127.42
    eugenol 90.07
    triacetin 95.97
    span 80 149.58
    1,4-butanediol 83.15
    1,1-dichloroethane 109.99
    2-methyl-1-pentanol 188.97
    methyl formate 50.94
    2-methyl-1-butanol 211.25
    n-decane 26.88
    butyronitrile 141.58
    3,7-dimethyl-1-octanol 132.92
    1-chlorooctane 71.78
    1-chlorotetradecane 28.94
    n-nonane 27.98
    undecane 19.71
    tert-butylcyclohexane 37.22
    cyclooctane 20.47
    cyclopentanol 159.22
    tetrahydropyran 242.04
    tert-amyl methyl ether 153.21
    2,5,8-trioxanonane 195.25
    1-hexene 131.49
    2-isopropoxyethanol 136.91
    2,2,2-trifluoroethanol 55.21
    methyl butyrate 112.5

    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