3,4,4-Trimethyl-1-penten-3-ol

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  • Identifiers

    CAS number
    3732-61-4

    Molecular formula
    C8H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 63.01%
    Woody 51.91%
    Camphoreous 51.08%
    Citrus 42.42%
    Mint 41.95%
    Earthy 39.14%
    Fresh 38.05%
    Fruity 37.84%
    Pine 35.46%
    Floral 34.31%

     

    Flavor
    Green 60.01%
    Woody 44.84%
    Herbal 41.1%
    Citrus 40.16%
    Fruity 38.67%
    Lavender 35.42%
    Floral 33.77%
    Tropical 32.26%
    Sweet 32.04%
    Herb 29.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.89 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    146°C

    Flash point

    • 45.61 ˚C est.

  • Synonyms

    • 3,4,4-Trimethyl-1-penten-3-ol
    • 3732-61-4
    • 3,4,4-trimethylpent-1-en-3-ol
    • SCHEMBL1381840
    • SCHEMBL8724486
    • DTXSID50958441
    • VHCAZBIUJQZQCZ-UHFFFAOYSA-N
    • 3,4,4-trimeth-yl-1-penten-3-ol
    • AKOS006275109
    • 3732-61-4

  • Applications

    3,4,4-Trimethyl-1-penten-3-ol (CAS 3732-61-4) is commonly used as an intermediate in fragrance and flavor chemistry, providing a versatile building block for aroma compounds in perfumery and flavor applications. In cosmetics and personal care, it may serve as a precursor or intermediate in fragrance formulations and can be further functionalized (e.g., by esterification) to yield related scent molecules. In industrial manufacturing, it is evaluated as a specialty chemical building block for synthesizing higher-value aroma-related materials and other organic intermediates, and can find use in coatings or inks as a chemical modifier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.25
    methanol 396.31
    isopropanol 276.72
    water 7.76
    ethyl acetate 223.63
    n-propanol 289.21
    acetone 177.15
    n-butanol 289.99
    acetonitrile 180.7
    DMF 248.46
    toluene 116.49
    isobutanol 221.65
    1,4-dioxane 398.37
    methyl acetate 206.02
    THF 580.73
    2-butanone 218.06
    n-pentanol 213.78
    sec-butanol 305.34
    n-hexane 151.31
    ethylene glycol 67.86
    NMP 298.93
    cyclohexane 104.88
    DMSO 158.11
    n-butyl acetate 204.78
    n-octanol 215.98
    chloroform 495.75
    n-propyl acetate 135.43
    acetic acid 190.9
    dichloromethane 319.68
    cyclohexanone 265.71
    propylene glycol 111.5
    isopropyl acetate 171.66
    DMAc 273.05
    2-ethoxyethanol 244.29
    isopentanol 258.3
    n-heptane 134.09
    ethyl formate 140.95
    1,2-dichloroethane 185.79
    n-hexanol 359.71
    2-methoxyethanol 329.05
    isobutyl acetate 107.1
    tetrachloromethane 202.57
    n-pentyl acetate 174.07
    transcutol 555.13
    n-heptanol 228.63
    ethylbenzene 110.84
    MIBK 159.44
    2-propoxyethanol 387.63
    tert-butanol 368.26
    MTBE 356.75
    2-butoxyethanol 261.22
    propionic acid 193.78
    o-xylene 124.64
    formic acid 105.97
    diethyl ether 292.41
    m-xylene 116.63
    p-xylene 156.67
    chlorobenzene 142.37
    dimethyl carbonate 69.67
    n-octane 57.86
    formamide 135.18
    cyclopentanone 313.6
    2-pentanone 194.08
    anisole 184.89
    cyclopentyl methyl ether 308.36
    gamma-butyrolactone 320.41
    1-methoxy-2-propanol 288.99
    pyridine 194.62
    3-pentanone 158.71
    furfural 257.5
    n-dodecane 35.69
    diethylene glycol 224.41
    diisopropyl ether 162.34
    tert-amyl alcohol 394.28
    acetylacetone 168.14
    n-hexadecane 37.95
    acetophenone 156.17
    methyl propionate 163.33
    isopentyl acetate 212.47
    trichloroethylene 306.15
    n-nonanol 194.63
    cyclohexanol 230.17
    benzyl alcohol 128.42
    2-ethylhexanol 247.58
    isooctanol 187.04
    dipropyl ether 254.95
    1,2-dichlorobenzene 161.34
    ethyl lactate 92.51
    propylene carbonate 214.19
    n-methylformamide 165.48
    2-pentanol 252.76
    n-pentane 121.69
    1-propoxy-2-propanol 304.48
    1-methoxy-2-propyl acetate 207.66
    2-(2-methoxypropoxy) propanol 228.76
    mesitylene 100.35
    ε-caprolactone 268.21
    p-cymene 119.19
    epichlorohydrin 302.13
    1,1,1-trichloroethane 309.5
    2-aminoethanol 169.13
    morpholine-4-carbaldehyde 325.4
    sulfolane 300.4
    2,2,4-trimethylpentane 84.9
    2-methyltetrahydrofuran 430.67
    n-hexyl acetate 242.54
    isooctane 69.63
    2-(2-butoxyethoxy)ethanol 282.77
    sec-butyl acetate 129.47
    tert-butyl acetate 222.17
    decalin 83.97
    glycerin 128.8
    diglyme 416.52
    acrylic acid 142.13
    isopropyl myristate 121.45
    n-butyric acid 246.48
    acetyl acetate 139.2
    di(2-ethylhexyl) phthalate 101.27
    ethyl propionate 138.79
    nitromethane 215.3
    1,2-diethoxyethane 252.59
    benzonitrile 131.41
    trioctyl phosphate 85.04
    1-bromopropane 202.99
    gamma-valerolactone 365.03
    n-decanol 145.29
    triethyl phosphate 108.13
    4-methyl-2-pentanol 182.22
    propionitrile 187.79
    vinylene carbonate 173.26
    1,1,2-trichlorotrifluoroethane 227.19
    DMS 128.24
    cumene 110.47
    2-octanol 169.26
    2-hexanone 166.56
    octyl acetate 140.36
    limonene 164.96
    1,2-dimethoxyethane 345.35
    ethyl orthosilicate 121.59
    tributyl phosphate 93.37
    diacetone alcohol 225.82
    N,N-dimethylaniline 165.81
    acrylonitrile 163.94
    aniline 148.91
    1,3-propanediol 207.61
    bromobenzene 146.06
    dibromomethane 262.16
    1,1,2,2-tetrachloroethane 318.85
    2-methyl-cyclohexyl acetate 185.51
    tetrabutyl urea 106.19
    diisobutyl methanol 160.92
    2-phenylethanol 179.84
    styrene 105.79
    dioctyl adipate 130.31
    dimethyl sulfate 107.08
    ethyl butyrate 180.1
    methyl lactate 102.98
    butyl lactate 138.73
    diethyl carbonate 125.6
    propanediol butyl ether 206.16
    triethyl orthoformate 165.61
    p-tert-butyltoluene 130.13
    methyl 4-tert-butylbenzoate 204.34
    morpholine 410.25
    tert-butylamine 307.88
    n-dodecanol 109.84
    dimethoxymethane 209.57
    ethylene carbonate 157.21
    cyrene 178.86
    2-ethoxyethyl acetate 183.49
    2-ethylhexyl acetate 181.92
    1,2,4-trichlorobenzene 180.53
    4-methylpyridine 214.74
    dibutyl ether 195.1
    2,6-dimethyl-4-heptanol 160.92
    DEF 204.98
    dimethyl isosorbide 347.72
    tetrachloroethylene 247.48
    eugenol 180.54
    triacetin 176.4
    span 80 228.0
    1,4-butanediol 101.04
    1,1-dichloroethane 264.82
    2-methyl-1-pentanol 213.38
    methyl formate 114.67
    2-methyl-1-butanol 253.71
    n-decane 63.64
    butyronitrile 200.89
    3,7-dimethyl-1-octanol 203.97
    1-chlorooctane 142.14
    1-chlorotetradecane 64.62
    n-nonane 64.66
    undecane 45.58
    tert-butylcyclohexane 99.9
    cyclooctane 62.76
    cyclopentanol 246.54
    tetrahydropyran 362.58
    tert-amyl methyl ether 310.69
    2,5,8-trioxanonane 299.73
    1-hexene 209.26
    2-isopropoxyethanol 197.43
    2,2,2-trifluoroethanol 108.47
    methyl butyrate 165.47

    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