3-Buten-2-ol

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  • Identifiers

    CAS number
    598-32-3

    Molecular formula
    C4H8O

    SMILES
    CC(C=C)O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 79.69%
    Pungent 54.81%
    Ethereal 47.78%
    Fruity 42.02%
    Sharp 37.95%
    Earthy 37.87%
    Fermented 36.04%
    Vegetable 34.9%
    Alliaceous 32.83%
    Alcoholic 32.12%

     

    Flavor
    Green 57.15%
    Pungent 50.44%
    Bitter 40.1%
    Fruity 36.92%
    Ethereal 32.4%
    Tropical 30.01%
    Vegetable 28.64%
    Mustard 26.97%
    Oily 26.82%
    Horseradish 25.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.78 (weak base)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    96°C

    Flash point

    • 16.21 ˚C est.

  • Synonyms

    • 3-BUTEN-2-OL
    • 598-32-3
    • but-3-en-2-ol
    • 1-Buten-3-ol
    • Methyl vinylcarbinol
    • 3-Butene-2-ol
    • 3-Hydroxy-1-butene
    • Propenol, 1-methyl
    • Methyl vinyl carbinol
    • 1-Methyl-2-propenol
    • 1-Methylallyl alcohol
    • alpha-Methylallyl alcohol
    • EINECS 209-929-8
    • NSC 17481
    • BRN 1361410
    • AI3-28424
    • MFCD00004543
    • DTXSID00862266
    • 3-01-00-01892 (Beilstein Handbook Reference)
    • 3Hydroxy1butene
    • 1Methyl2propenol
    • 3Butene2ol
    • Methylvinylcarbinol
    • 1Buten3ol
    • But3en2ol
    • Propenol, 1methyl
    • 1Methylallyl alcohol
    • 1-butene-3-ol
    • 2-hydroxy-3-butene
    • but-1-en-3-ol
    • alphaMethylallyl alcohol
    • CH2=CHCH(OH)CH3
    • (2R)-3-Buten-2-ol
    • 3-Buten-2-ol, 97%
    • (R/S)-but-3-en-2-ol
    • WLN: QY1&U2
    • (+/-)-3-buten-2-ol
    • DTXCID60811058
    • 3-Buten-2-ol, analytical standard
    • NSC17481
    • MFCD01320812
    • NSC-17481
    • AKOS005206749
    • FB15773
    • FB177024
    • SY295900
    • DB-000893
    • B0695
    • CS-0226550
    • NS00042811
    • 3-Buten-2-ol 100 microg/mL in Acetonitrile
    • EN300-123730
    • W13854
    • 209-929-8

  • Applications

    3-Buten-2-ol (CAS 598-32-3) is an allylic secondary alcohol primarily used as an industrial intermediate and building block in organic synthesis. It is commonly converted to crotyl esters, such as crotyl acetate, which are used in fragrance and flavor formulations. The compound also serves as a precursor to aldehydes and other allylic derivatives (e.g., crotonaldehyde) in chemical manufacturing. In polymers and coatings applications it provides the allyl functionality for subsequent polymerization, for example as a starting material for crotyl acrylate monomers used in paints, coatings and adhesives. In cosmetics and personal care, it may be encountered as a fragrance-related intermediate in formulating scent compounds, subject to regulatory limits. It is handled and used under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 397.71
    methanol 485.65
    isopropanol 253.91
    water 62.75
    ethyl acetate 77.1
    n-propanol 294.81
    acetone 104.79
    n-butanol 281.68
    acetonitrile 109.87
    DMF 197.94
    toluene 12.95
    isobutanol 175.69
    1,4-dioxane 133.86
    methyl acetate 93.8
    THF 199.06
    2-butanone 95.12
    n-pentanol 166.77
    sec-butanol 224.4
    n-hexane 18.84
    ethylene glycol 176.33
    NMP 154.4
    cyclohexane 13.55
    DMSO 143.31
    n-butyl acetate 67.62
    n-octanol 78.78
    chloroform 90.57
    n-propyl acetate 49.94
    acetic acid 305.91
    dichloromethane 61.16
    cyclohexanone 105.47
    propylene glycol 230.56
    isopropyl acetate 45.41
    DMAc 169.61
    2-ethoxyethanol 185.03
    isopentanol 180.96
    n-heptane 21.28
    ethyl formate 73.16
    1,2-dichloroethane 36.64
    n-hexanol 182.9
    2-methoxyethanol 320.5
    isobutyl acetate 30.79
    tetrachloromethane 33.7
    n-pentyl acetate 48.65
    transcutol 322.12
    n-heptanol 94.34
    ethylbenzene 9.69
    MIBK 48.99
    2-propoxyethanol 207.23
    tert-butanol 231.01
    MTBE 88.09
    2-butoxyethanol 136.72
    propionic acid 235.31
    o-xylene 16.74
    formic acid 203.89
    diethyl ether 78.28
    m-xylene 14.64
    p-xylene 14.24
    chlorobenzene 22.58
    dimethyl carbonate 22.82
    n-octane 7.6
    formamide 162.12
    cyclopentanone 130.87
    2-pentanone 81.78
    anisole 33.32
    cyclopentyl methyl ether 82.73
    gamma-butyrolactone 131.12
    1-methoxy-2-propanol 216.76
    pyridine 73.5
    3-pentanone 55.32
    furfural 120.8
    n-dodecane 5.35
    diethylene glycol 200.38
    diisopropyl ether 24.15
    tert-amyl alcohol 208.93
    acetylacetone 58.68
    n-hexadecane 5.33
    acetophenone 34.12
    methyl propionate 68.38
    isopentyl acetate 52.9
    trichloroethylene 66.51
    n-nonanol 66.15
    cyclohexanol 133.22
    benzyl alcohol 55.59
    2-ethylhexanol 91.41
    isooctanol 69.24
    dipropyl ether 58.77
    1,2-dichlorobenzene 20.45
    ethyl lactate 44.49
    propylene carbonate 68.71
    n-methylformamide 159.26
    2-pentanol 156.28
    n-pentane 19.68
    1-propoxy-2-propanol 148.15
    1-methoxy-2-propyl acetate 54.73
    2-(2-methoxypropoxy) propanol 95.99
    mesitylene 10.88
    ε-caprolactone 97.61
    p-cymene 15.26
    epichlorohydrin 96.84
    1,1,1-trichloroethane 41.28
    2-aminoethanol 293.03
    morpholine-4-carbaldehyde 162.05
    sulfolane 118.16
    2,2,4-trimethylpentane 13.11
    2-methyltetrahydrofuran 147.22
    n-hexyl acetate 64.7
    isooctane 8.14
    2-(2-butoxyethoxy)ethanol 141.45
    sec-butyl acetate 32.3
    tert-butyl acetate 45.98
    decalin 7.49
    glycerin 262.61
    diglyme 172.72
    acrylic acid 186.73
    isopropyl myristate 24.15
    n-butyric acid 240.42
    acetyl acetate 41.5
    di(2-ethylhexyl) phthalate 29.71
    ethyl propionate 39.11
    nitromethane 178.24
    1,2-diethoxyethane 73.36
    benzonitrile 43.35
    trioctyl phosphate 25.22
    1-bromopropane 32.41
    gamma-valerolactone 161.46
    n-decanol 48.1
    triethyl phosphate 24.2
    4-methyl-2-pentanol 78.03
    propionitrile 99.72
    vinylene carbonate 57.66
    1,1,2-trichlorotrifluoroethane 142.0
    DMS 31.25
    cumene 11.27
    2-octanol 54.62
    2-hexanone 58.21
    octyl acetate 35.84
    limonene 26.46
    1,2-dimethoxyethane 141.59
    ethyl orthosilicate 26.33
    tributyl phosphate 27.18
    diacetone alcohol 95.42
    N,N-dimethylaniline 29.69
    acrylonitrile 103.0
    aniline 59.58
    1,3-propanediol 304.9
    bromobenzene 13.9
    dibromomethane 44.21
    1,1,2,2-tetrachloroethane 62.9
    2-methyl-cyclohexyl acetate 38.7
    tetrabutyl urea 35.92
    diisobutyl methanol 41.53
    2-phenylethanol 57.9
    styrene 11.78
    dioctyl adipate 35.14
    dimethyl sulfate 33.4
    ethyl butyrate 48.98
    methyl lactate 67.36
    butyl lactate 55.59
    diethyl carbonate 27.1
    propanediol butyl ether 129.63
    triethyl orthoformate 38.06
    p-tert-butyltoluene 14.91
    methyl 4-tert-butylbenzoate 47.47
    morpholine 195.93
    tert-butylamine 135.37
    n-dodecanol 35.49
    dimethoxymethane 78.79
    ethylene carbonate 49.55
    cyrene 71.46
    2-ethoxyethyl acetate 53.07
    2-ethylhexyl acetate 41.36
    1,2,4-trichlorobenzene 26.53
    4-methylpyridine 62.82
    dibutyl ether 46.72
    2,6-dimethyl-4-heptanol 41.53
    DEF 99.51
    dimethyl isosorbide 94.94
    tetrachloroethylene 60.77
    eugenol 58.93
    triacetin 52.31
    span 80 101.39
    1,4-butanediol 129.3
    1,1-dichloroethane 46.14
    2-methyl-1-pentanol 129.47
    methyl formate 81.51
    2-methyl-1-butanol 182.81
    n-decane 9.31
    butyronitrile 112.63
    3,7-dimethyl-1-octanol 64.35
    1-chlorooctane 23.59
    1-chlorotetradecane 9.97
    n-nonane 9.42
    undecane 6.74
    tert-butylcyclohexane 9.7
    cyclooctane 5.91
    cyclopentanol 164.68
    tetrahydropyran 121.43
    tert-amyl methyl ether 74.95
    2,5,8-trioxanonane 129.31
    1-hexene 42.99
    2-isopropoxyethanol 119.03
    2,2,2-trifluoroethanol 111.35
    methyl butyrate 57.72

    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