2-Methyl-3-butyn-2-ol

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  • Identifiers

    CAS number
    115-19-5

    Molecular formula
    C5H8O

    SMILES
    CC(C)(C#C)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 51.11%
    Herbal 41.38%
    Earthy 38.78%
    Camphoreous 38.15%
    Mint 35.06%
    Sweet 32.38%
    Floral 29.42%
    Musty 28.86%
    Dry 27.57%
    Green 25.48%

     

    Flavor
    Mild 22.46%
    Odorless 22.4%
    Sulfurous 20.27%
    Ocimene 19.6%
    Meat broth 19.32%
    Mouldy 19.31%
    Cat-urine 19.29%
    Yeasty 19.26%
    Catty 19.14%
    Black currant 19.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.99 (weak base)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 36.7 °F (USCG, 1999)
    • 2.6 °C

    Boiling point

    • 219.2 to 221 °F at 760 mmHg (USCG, 1999)
    • 104-105 °C

    Flash point

    • 15.13 ˚C est.
    • 77 °F (USCG, 1999)
    • 20 °C c.c.

    Solubility expt.

    • Solubility in water: miscible

  • Synonyms

    • 2-METHYL-3-BUTYN-2-OL
    • 115-19-5
    • 2-Methylbut-3-yn-2-ol
    • 3-Butyn-2-ol, 2-methyl-
    • 2-Methyl-2-butynol
    • Ethynyldimethylcarbinol
    • Carbavane
    • Dimethylethynylcarbinol
    • Dimethylethynylmethanol
    • 2-Hydroxy-2-methyl-3-butyne
    • Dimethylacetylenecarbinol
    • Dimethylacetylenylcarbinol
    • 1,1-Dimethylpropargyl alcohol
    • EHB904XHKH
    • DTXSID2021949
    • NSC-523
    • DTXCID701949
    • RefChem:88076
    • 204-070-5
    • 3-Methyl-1-butyn-3-ol
    • 3-Methylbutynol
    • 1,1-Dimethyl-2-propynol
    • 1,1-Dimethylpropynol
    • 2-Methylbutyn-3-ol-2
    • 1-Butyn-3-ol, 3-methyl-
    • MFCD00004467
    • 2-Methyl-2-hydroxy-3-butyne
    • 3-Hydroxy-3-methyl-1-butyne
    • Dimethyl ethynyl carbinol
    • NSC 523
    • 2-methyl-but-3-yn-2-ol
    • 1,1-Dimethyl-2-propyn-1-ol carbamate
    • 3-Methyl-butin-(1)-ol-(3)
    • .alpha.,.alpha.-Dimethylpropargyl alcohol
    • Carbavane [Russian]
    • alpha,alpha-Dimethylpropargyl alcohol
    • 3-Methyl-butyn-3-ol
    • EINECS 204-070-5
    • UNII-EHB904XHKH
    • 2-Methylbut-3-in-2-ol
    • 2-methyl-3-butyne-2-ol
    • BRN 0635746
    • 3-Methyl-butin-(1)-ol-(3) [German]
    • AI3-23121
    • 2-Propyn-1-ol, 1,1-dimethyl-, carbamate
    • dimethylethynyl carbinol
    • dimethyl propargyl alcohol
    • 3-hydroxy-3-methylbutyne
    • 2-methyl 3 butyn 2-ol
    • 2-methyl 3-butyn 2-ol
    • 2-methyl-3-butin-2-ol
    • 3-methyl-1-butin-3-ol
    • 2-methyl-3 butyne-2-ol
    • 3-methyl-1-butyne-3-ol
    • 3-hydroxy-3-methyl-butyne
    • EC 204-070-5
    • 2-methylbutan-3-yn-2-ol
    • SCHEMBL8629
    • 2-methyl-3 -butyne-2-ol
    • 3 -methyl-1-butyne-3-ol
    • SCHEMBL82893
    • 4-01-00-02229 (Beilstein Handbook Reference)
    • SCHEMBL312398
    • SCHEMBL329576
    • 3-hydroxy-3-methyl-1-butine
    • 3-methyl-3-hydroxy-1-butyne
    • 1,1-dimethyl-2-propyn-1-ol
    • NSC523
    • CHEMBL3185871
    • SCHEMBL27506027
    • WLN: ZVOX1UU1&1&1
    • 2-Methyl-3-butyn-2-ol, 98%
    • BB_SC-06658
    • Tox21_200094
    • BBL011368
    • STL146465
    • METHYL-3-BUTYN-2-OL, 2-
    • AKOS004114613
    • 2-METHYL-3-BUTYN-2-OL [MI]
    • 2-Propyn-1-ol,1-dimethyl-, carbamate
    • NCGC00248521-01
    • NCGC00257648-01
    • CAS-115-19-5
    • M0180
    • NS00007669
    • EN300-60208
    • F077701
    • Q209427
    • F0001-0282
    • InChI=1/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H
    • Z1245735173
    • 115-19-5

  • Applications

    2-Methyl-3-butyn-2-ol (CAS 115-19-5) is a tertiary propargyl alcohol that is mainly used as an intermediate in organic synthesis. It serves as a building block for the preparation of specialty chemicals, including intermediates for fragrances and flavors, as well as for pharmaceutical and agrochemical syntheses. The propargyl functionality also enables its use in introducing alkyne groups into polymers, coatings, and adhesives, supporting crosslinking and materials chemistry workflows. It is commonly evaluated as a precursor for resin components, catalysis-related derivatives, and other specialty intermediates, with handling and formulation limits governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.74
    methanol 1520.24
    isopropanol 576.13
    water 613.7
    ethyl acetate 203.38
    n-propanol 554.39
    acetone 374.39
    n-butanol 447.82
    acetonitrile 322.74
    DMF 678.39
    toluene 38.69
    isobutanol 328.35
    1,4-dioxane 292.53
    methyl acetate 269.33
    THF 367.45
    2-butanone 290.37
    n-pentanol 249.22
    sec-butanol 422.49
    n-hexane 41.21
    ethylene glycol 616.65
    NMP 368.08
    cyclohexane 22.83
    DMSO 339.05
    n-butyl acetate 78.51
    n-octanol 147.55
    chloroform 299.43
    n-propyl acetate 101.75
    acetic acid 675.23
    dichloromethane 219.07
    cyclohexanone 182.32
    propylene glycol 656.6
    isopropyl acetate 108.8
    DMAc 511.28
    2-ethoxyethanol 408.24
    isopentanol 236.25
    n-heptane 32.19
    ethyl formate 215.9
    1,2-dichloroethane 109.84
    n-hexanol 230.61
    2-methoxyethanol 828.14
    isobutyl acetate 60.99
    tetrachloromethane 104.76
    n-pentyl acetate 83.81
    transcutol 422.81
    n-heptanol 158.5
    ethylbenzene 24.56
    MIBK 96.91
    2-propoxyethanol 382.81
    tert-butanol 450.25
    MTBE 181.15
    2-butoxyethanol 271.86
    propionic acid 475.05
    o-xylene 37.53
    formic acid 802.15
    diethyl ether 203.67
    m-xylene 36.15
    p-xylene 33.45
    chlorobenzene 48.78
    dimethyl carbonate 117.99
    n-octane 14.89
    formamide 778.06
    cyclopentanone 260.64
    2-pentanone 201.09
    anisole 82.77
    cyclopentyl methyl ether 154.52
    gamma-butyrolactone 281.38
    1-methoxy-2-propanol 535.25
    pyridine 153.77
    3-pentanone 158.66
    furfural 239.96
    n-dodecane 10.31
    diethylene glycol 417.29
    diisopropyl ether 54.76
    tert-amyl alcohol 354.31
    acetylacetone 148.1
    n-hexadecane 10.23
    acetophenone 74.77
    methyl propionate 216.89
    isopentyl acetate 60.5
    trichloroethylene 169.53
    n-nonanol 119.09
    cyclohexanol 188.75
    benzyl alcohol 100.96
    2-ethylhexanol 92.99
    isooctanol 103.98
    dipropyl ether 94.42
    1,2-dichlorobenzene 44.86
    ethyl lactate 104.32
    propylene carbonate 148.52
    n-methylformamide 620.4
    2-pentanol 266.94
    n-pentane 47.48
    1-propoxy-2-propanol 220.67
    1-methoxy-2-propyl acetate 97.47
    2-(2-methoxypropoxy) propanol 146.16
    mesitylene 23.0
    ε-caprolactone 170.62
    p-cymene 23.35
    epichlorohydrin 215.66
    1,1,1-trichloroethane 120.34
    2-aminoethanol 772.9
    morpholine-4-carbaldehyde 367.44
    sulfolane 203.11
    2,2,4-trimethylpentane 20.75
    2-methyltetrahydrofuran 222.94
    n-hexyl acetate 121.67
    isooctane 13.68
    2-(2-butoxyethoxy)ethanol 216.98
    sec-butyl acetate 66.03
    tert-butyl acetate 100.16
    decalin 12.92
    glycerin 748.13
    diglyme 312.08
    acrylic acid 400.14
    isopropyl myristate 43.25
    n-butyric acid 377.09
    acetyl acetate 108.49
    di(2-ethylhexyl) phthalate 46.45
    ethyl propionate 103.3
    nitromethane 578.3
    1,2-diethoxyethane 107.84
    benzonitrile 75.36
    trioctyl phosphate 41.17
    1-bromopropane 94.77
    gamma-valerolactone 333.8
    n-decanol 80.65
    triethyl phosphate 42.54
    4-methyl-2-pentanol 116.96
    propionitrile 231.27
    vinylene carbonate 135.91
    1,1,2-trichlorotrifluoroethane 324.91
    DMS 75.47
    cumene 23.2
    2-octanol 95.89
    2-hexanone 117.88
    octyl acetate 66.18
    limonene 35.83
    1,2-dimethoxyethane 332.57
    ethyl orthosilicate 44.24
    tributyl phosphate 41.98
    diacetone alcohol 183.76
    N,N-dimethylaniline 68.93
    acrylonitrile 250.89
    aniline 120.58
    1,3-propanediol 662.38
    bromobenzene 32.56
    dibromomethane 144.01
    1,1,2,2-tetrachloroethane 169.78
    2-methyl-cyclohexyl acetate 56.57
    tetrabutyl urea 57.06
    diisobutyl methanol 46.14
    2-phenylethanol 92.24
    styrene 28.8
    dioctyl adipate 60.18
    dimethyl sulfate 138.81
    ethyl butyrate 69.56
    methyl lactate 213.13
    butyl lactate 95.11
    diethyl carbonate 50.12
    propanediol butyl ether 248.01
    triethyl orthoformate 57.72
    p-tert-butyltoluene 23.83
    methyl 4-tert-butylbenzoate 94.78
    morpholine 405.91
    tert-butylamine 267.24
    n-dodecanol 57.21
    dimethoxymethane 312.14
    ethylene carbonate 119.58
    cyrene 127.6
    2-ethoxyethyl acetate 100.43
    2-ethylhexyl acetate 47.87
    1,2,4-trichlorobenzene 56.71
    4-methylpyridine 133.45
    dibutyl ether 74.21
    2,6-dimethyl-4-heptanol 46.14
    DEF 240.35
    dimethyl isosorbide 137.65
    tetrachloroethylene 145.11
    eugenol 111.35
    triacetin 102.63
    span 80 147.2
    1,4-butanediol 273.99
    1,1-dichloroethane 156.32
    2-methyl-1-pentanol 157.17
    methyl formate 368.61
    2-methyl-1-butanol 263.7
    n-decane 18.66
    butyronitrile 196.14
    3,7-dimethyl-1-octanol 86.97
    1-chlorooctane 52.13
    1-chlorotetradecane 19.34
    n-nonane 18.82
    undecane 13.05
    tert-butylcyclohexane 16.4
    cyclooctane 10.99
    cyclopentanol 268.81
    tetrahydropyran 211.03
    tert-amyl methyl ether 142.02
    2,5,8-trioxanonane 206.11
    1-hexene 82.8
    2-isopropoxyethanol 223.46
    2,2,2-trifluoroethanol 377.71
    methyl butyrate 131.18

    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