3-Methyl-4-penten-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    51174-44-8

    Molecular formula
    C6H12O

    SMILES
    CC(CCO)C=C

    Safety labels

  • Odor profile

    Fragrance
    Green 91.59%
    Fruity 76.53%
    Earthy 53.11%
    Fresh 47.2%
    Herbal 47.05%
    Vegetable 45.38%
    Oily 39.03%
    Mushroom 38.78%
    Fatty 38.24%
    Leafy 38.13%

     

    Flavor
    Green 68.55%
    Fresh 37.42%
    Oily 33.85%
    Vegetable 30.77%
    Tropical 30.56%
    Melon 29.22%
    Fruity 27.89%
    Ethereal 27.34%
    Earthy 26.84%
    Metallic 26.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.4 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    150°C

    Flash point

    • 46.38 ˚C est.

  • Synonyms

    • 3-Methyl-4-penten-1-ol
    • 4-Penten-1-ol, 3-methyl-
    • DTXSID90885944
    • RefChem:94779
    • DTXCID701020905
    • VTCQTYOGWYLVES-UHFFFAOYSA-N
    • 51174-44-8
    • 3-methylpent-4-en-1-ol
    • 3-methyl-4-pentenol
    • SCHEMBL616352
    • SCHEMBL711412
    • SCHEMBL3055659
    • SCHEMBL9343994
    • SCHEMBL17581070
    • SCHEMBL28688695
    • AKOS006273746
    • DA-23352
    • H51395
    • EN300-2513573
    • 51174-44-8

  • Applications

    3-Methyl-4-penten-1-ol (CAS 51174-44-8) is primarily used as a building block in specialty chemicals. In fragrance and cosmetics, it is treated as an aroma intermediate and can be converted into esters and ethers to furnish fragrance ingredients. In polymers and coatings, the allylic and vinyl functionalities enable it to act as a reactive monomer or comonomer for acrylate and polyurethane systems, including UV-curable coatings and adhesives. It can also serve as a precursor to functional derivatives such as esters or ethers used in further industrial synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 359.55
    methanol 393.76
    isopropanol 317.19
    water 5.3
    ethyl acetate 109.6
    n-propanol 322.71
    acetone 129.81
    n-butanol 295.32
    acetonitrile 97.42
    DMF 172.2
    toluene 26.49
    isobutanol 247.45
    1,4-dioxane 268.06
    methyl acetate 125.3
    THF 370.19
    2-butanone 125.76
    n-pentanol 164.52
    sec-butanol 267.71
    n-hexane 25.4
    ethylene glycol 135.7
    NMP 213.42
    cyclohexane 27.61
    DMSO 292.74
    n-butyl acetate 173.18
    n-octanol 104.75
    chloroform 179.48
    n-propyl acetate 87.91
    acetic acid 279.97
    dichloromethane 103.63
    cyclohexanone 222.26
    propylene glycol 181.42
    isopropyl acetate 68.74
    DMAc 113.91
    2-ethoxyethanol 176.8
    isopentanol 229.53
    n-heptane 40.74
    ethyl formate 84.83
    1,2-dichloroethane 72.05
    n-hexanol 389.94
    2-methoxyethanol 306.63
    isobutyl acetate 64.6
    tetrachloromethane 67.11
    n-pentyl acetate 75.53
    transcutol 428.35
    n-heptanol 135.43
    ethylbenzene 20.31
    MIBK 76.95
    2-propoxyethanol 374.36
    tert-butanol 394.13
    MTBE 157.04
    2-butoxyethanol 180.04
    propionic acid 264.12
    o-xylene 31.78
    formic acid 123.71
    diethyl ether 93.61
    m-xylene 33.87
    p-xylene 27.76
    chlorobenzene 54.85
    dimethyl carbonate 26.61
    n-octane 12.28
    formamide 91.88
    cyclopentanone 227.47
    2-pentanone 103.13
    anisole 55.83
    cyclopentyl methyl ether 169.98
    gamma-butyrolactone 265.93
    1-methoxy-2-propanol 236.63
    pyridine 112.5
    3-pentanone 65.5
    furfural 205.1
    n-dodecane 9.12
    diethylene glycol 277.68
    diisopropyl ether 43.3
    tert-amyl alcohol 275.94
    acetylacetone 93.87
    n-hexadecane 9.63
    acetophenone 57.47
    methyl propionate 84.7
    isopentyl acetate 142.04
    trichloroethylene 155.18
    n-nonanol 89.16
    cyclohexanol 231.5
    benzyl alcohol 70.8
    2-ethylhexanol 191.46
    isooctanol 105.27
    dipropyl ether 134.75
    1,2-dichlorobenzene 55.51
    ethyl lactate 59.84
    propylene carbonate 135.44
    n-methylformamide 128.39
    2-pentanol 186.36
    n-pentane 22.17
    1-propoxy-2-propanol 299.38
    1-methoxy-2-propyl acetate 135.7
    2-(2-methoxypropoxy) propanol 140.83
    mesitylene 27.77
    ε-caprolactone 184.52
    p-cymene 38.99
    epichlorohydrin 186.03
    1,1,1-trichloroethane 112.13
    2-aminoethanol 251.89
    morpholine-4-carbaldehyde 209.69
    sulfolane 322.68
    2,2,4-trimethylpentane 19.42
    2-methyltetrahydrofuran 288.87
    n-hexyl acetate 105.35
    isooctane 18.54
    2-(2-butoxyethoxy)ethanol 201.67
    sec-butyl acetate 56.83
    tert-butyl acetate 91.65
    decalin 16.79
    glycerin 217.03
    diglyme 268.55
    acrylic acid 190.61
    isopropyl myristate 46.26
    n-butyric acid 279.91
    acetyl acetate 63.62
    di(2-ethylhexyl) phthalate 52.31
    ethyl propionate 61.72
    nitromethane 212.05
    1,2-diethoxyethane 121.67
    benzonitrile 76.35
    trioctyl phosphate 47.93
    1-bromopropane 60.45
    gamma-valerolactone 281.28
    n-decanol 67.73
    triethyl phosphate 45.94
    4-methyl-2-pentanol 106.82
    propionitrile 109.26
    vinylene carbonate 111.88
    1,1,2-trichlorotrifluoroethane 196.43
    DMS 58.32
    cumene 24.34
    2-octanol 77.6
    2-hexanone 94.83
    octyl acetate 62.05
    limonene 68.63
    1,2-dimethoxyethane 181.68
    ethyl orthosilicate 49.2
    tributyl phosphate 51.17
    diacetone alcohol 164.71
    N,N-dimethylaniline 42.94
    acrylonitrile 114.34
    aniline 75.24
    1,3-propanediol 289.82
    bromobenzene 43.16
    dibromomethane 81.87
    1,1,2,2-tetrachloroethane 152.46
    2-methyl-cyclohexyl acetate 88.49
    tetrabutyl urea 58.96
    diisobutyl methanol 93.24
    2-phenylethanol 115.84
    styrene 21.96
    dioctyl adipate 61.23
    dimethyl sulfate 54.21
    ethyl butyrate 102.29
    methyl lactate 75.27
    butyl lactate 84.91
    diethyl carbonate 56.19
    propanediol butyl ether 154.54
    triethyl orthoformate 78.03
    p-tert-butyltoluene 39.89
    methyl 4-tert-butylbenzoate 81.94
    morpholine 297.94
    tert-butylamine 234.22
    n-dodecanol 52.64
    dimethoxymethane 93.5
    ethylene carbonate 96.0
    cyrene 107.37
    2-ethoxyethyl acetate 85.01
    2-ethylhexyl acetate 106.32
    1,2,4-trichlorobenzene 69.76
    4-methylpyridine 99.41
    dibutyl ether 72.21
    2,6-dimethyl-4-heptanol 93.24
    DEF 110.3
    dimethyl isosorbide 199.78
    tetrachloroethylene 125.6
    eugenol 93.24
    triacetin 84.33
    span 80 155.31
    1,4-butanediol 110.47
    1,1-dichloroethane 98.14
    2-methyl-1-pentanol 140.41
    methyl formate 80.27
    2-methyl-1-butanol 213.44
    n-decane 14.6
    butyronitrile 125.14
    3,7-dimethyl-1-octanol 104.13
    1-chlorooctane 46.02
    1-chlorotetradecane 20.45
    n-nonane 14.31
    undecane 11.18
    tert-butylcyclohexane 21.83
    cyclooctane 11.14
    cyclopentanol 288.16
    tetrahydropyran 245.32
    tert-amyl methyl ether 106.96
    2,5,8-trioxanonane 206.22
    1-hexene 63.26
    2-isopropoxyethanol 133.56
    2,2,2-trifluoroethanol 87.69
    methyl butyrate 92.01

    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