2-Methylbut-3-yn-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    584-00-9

    Molecular formula
    C5H8O

    SMILES
    CC(CO)C#C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 50.9%
    Fruity 39.09%
    Sweet 32.73%
    Green 28.82%
    Oily 28.33%
    Fermented 24.6%
    Fresh 23.7%
    Herbal 23.22%
    Cheesy 22.46%
    Spicy 21.81%

     

    Flavor
    Bitter 35.14%
    Odorless 30.43%
    Sulfurous 27.92%
    Onion 22.45%
    Mild 20.82%
    Bloody 19.28%
    Glue 19.26%
    Nitrile 19.04%
    Yeasty 18.92%
    Very slight 18.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.98 (neutral)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    135°C

    Flash point

    • 44.09 ˚C est.

  • Synonyms

    • 2-Methylbut-3-yn-1-ol
    • 2-methyl-3-butyn-1-ol
    • 584-00-9
    • EINECS 209-525-1
    • DTXSID40973946
    • 2-methylbut-3-yn-ol
    • 2-Methyl-3-butyne-ol
    • 3-Butyn-1-ol, 2-methyl-
    • DTXCID801401386
    • AKOS040805074
    • DB-127817
    • NS00043010
    • 209-525-1

  • Applications

    2-Methylbut-3-yn-1-ol (CAS 584-00-9) is a small terminal alkyne alcohol that functions as a versatile building block in organic synthesis. In fragrance chemistry and cosmetics, it is commonly used as a precursor to propargyl-containing fragrance ingredients and functional derivatives. In coatings, inks, and adhesives, it provides a reactive handle for creating propargyl-functional monomers and crosslinkable prepolymers for UV-curable systems. In polymer science, it serves as a key monomer or chain-terminating unit to introduce alkyne functionality into polymers for subsequent click-chemistry modifications. In industrial manufacturing and chemical research, it is valued as an intermediate for preparing propargyl ethers and esters. In electronics and advanced materials, the terminal alkyne group enables azide-alkyne cycloaddition approaches for material functionalization, often explored in lab-scale formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 517.43
    methanol 815.08
    isopropanol 242.28
    water 85.43
    ethyl acetate 101.06
    n-propanol 326.98
    acetone 131.61
    n-butanol 308.88
    acetonitrile 126.71
    DMF 245.02
    toluene 9.2
    isobutanol 184.18
    1,4-dioxane 232.3
    methyl acetate 120.58
    THF 291.25
    2-butanone 105.95
    n-pentanol 166.97
    sec-butanol 183.68
    n-hexane 9.22
    ethylene glycol 251.16
    NMP 215.38
    cyclohexane 11.08
    DMSO 296.18
    n-butyl acetate 97.87
    n-octanol 61.11
    chloroform 131.51
    n-propyl acetate 74.37
    acetic acid 752.0
    dichloromethane 112.17
    cyclohexanone 150.83
    propylene glycol 195.08
    isopropyl acetate 49.99
    DMAc 147.32
    2-ethoxyethanol 242.91
    isopentanol 164.67
    n-heptane 14.41
    ethyl formate 128.78
    1,2-dichloroethane 64.64
    n-hexanol 167.42
    2-methoxyethanol 452.34
    isobutyl acetate 39.98
    tetrachloromethane 45.55
    n-pentyl acetate 59.68
    transcutol 493.29
    n-heptanol 77.75
    ethylbenzene 6.39
    MIBK 52.18
    2-propoxyethanol 237.69
    tert-butanol 201.78
    MTBE 73.52
    2-butoxyethanol 149.06
    propionic acid 338.89
    o-xylene 10.55
    formic acid 739.78
    diethyl ether 94.91
    m-xylene 9.8
    p-xylene 10.01
    chlorobenzene 26.77
    dimethyl carbonate 24.99
    n-octane 4.86
    formamide 574.28
    cyclopentanone 190.92
    2-pentanone 93.8
    anisole 35.08
    cyclopentyl methyl ether 94.06
    gamma-butyrolactone 247.58
    1-methoxy-2-propanol 216.54
    pyridine 100.46
    3-pentanone 57.32
    furfural 232.06
    n-dodecane 3.21
    diethylene glycol 273.07
    diisopropyl ether 21.21
    tert-amyl alcohol 160.03
    acetylacetone 83.87
    n-hexadecane 3.27
    acetophenone 39.48
    methyl propionate 74.44
    isopentyl acetate 67.04
    trichloroethylene 128.95
    n-nonanol 49.57
    cyclohexanol 139.47
    benzyl alcohol 54.61
    2-ethylhexanol 74.4
    isooctanol 57.49
    dipropyl ether 59.75
    1,2-dichlorobenzene 26.8
    ethyl lactate 51.15
    propylene carbonate 116.17
    n-methylformamide 292.29
    2-pentanol 137.84
    n-pentane 11.86
    1-propoxy-2-propanol 164.08
    1-methoxy-2-propyl acetate 79.79
    2-(2-methoxypropoxy) propanol 106.69
    mesitylene 8.14
    ε-caprolactone 145.61
    p-cymene 12.35
    epichlorohydrin 171.11
    1,1,1-trichloroethane 53.14
    2-aminoethanol 365.31
    morpholine-4-carbaldehyde 233.6
    sulfolane 230.0
    2,2,4-trimethylpentane 6.63
    2-methyltetrahydrofuran 187.62
    n-hexyl acetate 66.95
    isooctane 5.45
    2-(2-butoxyethoxy)ethanol 164.05
    sec-butyl acetate 36.5
    tert-butyl acetate 56.6
    decalin 4.54
    glycerin 304.65
    diglyme 260.48
    acrylic acid 316.43
    isopropyl myristate 24.44
    n-butyric acid 336.88
    acetyl acetate 58.34
    di(2-ethylhexyl) phthalate 33.31
    ethyl propionate 44.64
    nitromethane 500.38
    1,2-diethoxyethane 100.26
    benzonitrile 53.98
    trioctyl phosphate 27.66
    1-bromopropane 35.73
    gamma-valerolactone 260.26
    n-decanol 34.15
    triethyl phosphate 29.83
    4-methyl-2-pentanol 60.36
    propionitrile 98.14
    vinylene carbonate 108.82
    1,1,2-trichlorotrifluoroethane 225.14
    DMS 40.88
    cumene 8.63
    2-octanol 42.58
    2-hexanone 72.48
    octyl acetate 34.33
    limonene 23.39
    1,2-dimethoxyethane 205.83
    ethyl orthosilicate 30.65
    tributyl phosphate 30.72
    diacetone alcohol 111.19
    N,N-dimethylaniline 26.05
    acrylonitrile 126.25
    aniline 53.67
    1,3-propanediol 419.21
    bromobenzene 16.44
    dibromomethane 69.72
    1,1,2,2-tetrachloroethane 100.06
    2-methyl-cyclohexyl acetate 48.74
    tetrabutyl urea 37.08
    diisobutyl methanol 36.73
    2-phenylethanol 60.4
    styrene 8.4
    dioctyl adipate 44.28
    dimethyl sulfate 48.16
    ethyl butyrate 64.46
    methyl lactate 69.88
    butyl lactate 65.36
    diethyl carbonate 37.21
    propanediol butyl ether 129.21
    triethyl orthoformate 47.01
    p-tert-butyltoluene 12.08
    methyl 4-tert-butylbenzoate 56.51
    morpholine 300.31
    tert-butylamine 102.2
    n-dodecanol 25.05
    dimethoxymethane 100.04
    ethylene carbonate 86.54
    cyrene 90.78
    2-ethoxyethyl acetate 79.22
    2-ethylhexyl acetate 51.87
    1,2,4-trichlorobenzene 35.19
    4-methylpyridine 64.31
    dibutyl ether 41.77
    2,6-dimethyl-4-heptanol 36.73
    DEF 108.23
    dimethyl isosorbide 130.89
    tetrachloroethylene 95.65
    eugenol 69.81
    triacetin 72.29
    span 80 105.57
    1,4-butanediol 156.74
    1,1-dichloroethane 52.26
    2-methyl-1-pentanol 108.05
    methyl formate 160.08
    2-methyl-1-butanol 163.47
    n-decane 5.47
    butyronitrile 118.76
    3,7-dimethyl-1-octanol 50.19
    1-chlorooctane 20.4
    1-chlorotetradecane 7.67
    n-nonane 5.62
    undecane 3.95
    tert-butylcyclohexane 5.78
    cyclooctane 3.9
    cyclopentanol 171.41
    tetrahydropyran 175.15
    tert-amyl methyl ether 58.65
    2,5,8-trioxanonane 184.0
    1-hexene 25.29
    2-isopropoxyethanol 138.2
    2,2,2-trifluoroethanol 259.0
    methyl butyrate 76.31

    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