3-Butyn-1-OL

Overview IFRA Request a quote

  • Identifiers

    CAS number
    927-74-2

    Molecular formula
    C4H6O

    SMILES
    C#CCCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 64.39%
    Fruity 35.04%
    Sweet 33.2%
    Oily 25.56%
    Rose 24.89%
    Fresh 24.7%
    Green 21.27%
    Pungent 21.09%
    Geranium 19.82%
    Sharp 19.8%

     

    Flavor
    Bitter 50.38%
    Odorless 36.97%
    Mild 23.6%
    Sulfurous 22.58%
    Formyl 19.51%
    Very slight 19.47%
    Soy 19.07%
    Mousy 19.05%
    Sweet-like 19.05%
    Pungent 19.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.37 (neutral)

    Molecular weight
    70.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    125°C

    Flash point

    • 42.75 ˚C est.

  • Synonyms

    • 3-BUTYN-1-OL
    • But-3-yn-1-ol
    • 927-74-2
    • 3-Butynol
    • 3-Butynyl alcohol
    • 1-Butyn-4-ol
    • 4-Hydroxy-1-butyne
    • NSC-9708
    • DTXSID1022136
    • P74L430293
    • CHEBI:27444
    • RefChem:93308
    • DTXCID702136
    • 213-161-9
    • 3-Butyne-1-ol
    • 2-Hydroxyethylacetylene
    • homopropargyl alcohol
    • (2-Hydroxyethyl)acetylene
    • MFCD00002955
    • NSC 9708
    • 4-hydroxy-but-1-yne
    • 1-butyne-4-ol
    • EINECS 213-161-9
    • BRN 0773710
    • 4-hydroxybutyne
    • AI3-25453
    • 4-hydroxy-butyne
    • 3-butyn-ol
    • UNII-P74L430293
    • 3butyn-1-ol
    • 4-butyne-1-ol
    • 1-hydroxy-3-butyne
    • 1-hydroxybut-3-yne
    • 3-butin-1-ol
    • 3-butyn-1 ol
    • but-3-yne-1-ol
    • homopropargylic alcohol
    • 3-but-yn-1-ol
    • bmse000362
    • HC.$.CCH2CH2OH
    • WLN: Q3UU1
    • SCHEMBL39751
    • SCHEMBL95203
    • 3-Butyn-1-ol, 97%
    • 4-01-00-02219 (Beilstein Handbook Reference)
    • SCHEMBL128116
    • SCHEMBL128227
    • orb2940460
    • SCHEMBL7370434
    • SCHEMBL16930351
    • NSC9708
    • BB_SC-12943
    • STR09821
    • AKOS000121102
    • CS-W001947
    • HY-W001947
    • SB40659
    • BP-31076
    • DB-028414
    • B0799
    • NS00020899
    • EN300-34598
    • C06146
    • A844341
    • F009077
    • Q223060
    • InChI=1/C4H6O/c1-2-3-4-5/h1,5H,3-4H
    • F0001-2231
    • 927-74-2

  • Applications

    3-Butyn-1-ol, CAS number: 927-74-2, is commonly used as an intermediate to introduce an alkynyl group into molecules, enabling synthesis of alkynyl-functional monomers and polymers. In industrial manufacturing, it serves as a building block for alkynyl monomers and for click-chemistry routes to prepare materials with crosslinking and surface functionality. In coatings and inks, it is used as a component to develop UV-curable systems and to enhance crosslinking performance; in adhesives, it can act as a reactive intermediate or functional linker to improve adhesion and network formation. Additionally, it may serve as a precursor for specialty chemicals used in electronics-related materials and as an intermediate in pharmaceutical synthesis, subject to regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 881.84
    methanol 1659.06
    isopropanol 427.12
    water 204.18
    ethyl acetate 140.98
    n-propanol 498.8
    acetone 489.14
    n-butanol 346.51
    acetonitrile 320.18
    DMF 1024.96
    toluene 11.62
    isobutanol 257.09
    1,4-dioxane 401.63
    methyl acetate 233.45
    THF 539.63
    2-butanone 218.35
    n-pentanol 196.71
    sec-butanol 248.0
    n-hexane 11.42
    ethylene glycol 733.5
    NMP 546.16
    cyclohexane 16.65
    DMSO 1109.14
    n-butyl acetate 104.09
    n-octanol 83.11
    chloroform 122.24
    n-propyl acetate 101.5
    acetic acid 1502.35
    dichloromethane 128.85
    cyclohexanone 243.22
    propylene glycol 485.36
    isopropyl acetate 61.03
    DMAc 418.71
    2-ethoxyethanol 366.27
    isopentanol 167.12
    n-heptane 20.26
    ethyl formate 166.23
    1,2-dichloroethane 98.28
    n-hexanol 189.37
    2-methoxyethanol 729.06
    isobutyl acetate 54.58
    tetrachloromethane 33.83
    n-pentyl acetate 61.3
    transcutol 744.86
    n-heptanol 79.42
    ethylbenzene 7.16
    MIBK 65.51
    2-propoxyethanol 325.47
    tert-butanol 323.17
    MTBE 89.15
    2-butoxyethanol 176.37
    propionic acid 615.04
    o-xylene 12.43
    formic acid 1295.5
    diethyl ether 134.82
    m-xylene 12.17
    p-xylene 11.11
    chlorobenzene 31.11
    dimethyl carbonate 62.69
    n-octane 5.74
    formamide 1061.05
    cyclopentanone 361.73
    2-pentanone 143.98
    anisole 46.81
    cyclopentyl methyl ether 148.6
    gamma-butyrolactone 433.34
    1-methoxy-2-propanol 379.34
    pyridine 155.69
    3-pentanone 100.39
    furfural 336.88
    n-dodecane 4.6
    diethylene glycol 438.6
    diisopropyl ether 24.1
    tert-amyl alcohol 177.0
    acetylacetone 159.55
    n-hexadecane 4.83
    acetophenone 52.6
    methyl propionate 146.98
    isopentyl acetate 68.51
    trichloroethylene 158.21
    n-nonanol 67.5
    cyclohexanol 205.58
    benzyl alcohol 68.03
    2-ethylhexanol 77.79
    isooctanol 53.89
    dipropyl ether 94.42
    1,2-dichlorobenzene 29.49
    ethyl lactate 86.15
    propylene carbonate 158.53
    n-methylformamide 698.92
    2-pentanol 157.23
    n-pentane 15.71
    1-propoxy-2-propanol 225.23
    1-methoxy-2-propyl acetate 103.87
    2-(2-methoxypropoxy) propanol 147.14
    mesitylene 9.03
    ε-caprolactone 189.21
    p-cymene 14.26
    epichlorohydrin 257.69
    1,1,1-trichloroethane 59.93
    2-aminoethanol 739.6
    morpholine-4-carbaldehyde 490.3
    sulfolane 452.6
    2,2,4-trimethylpentane 6.11
    2-methyltetrahydrofuran 255.58
    n-hexyl acetate 87.91
    isooctane 5.4
    2-(2-butoxyethoxy)ethanol 216.98
    sec-butyl acetate 43.8
    tert-butyl acetate 65.68
    decalin 5.18
    glycerin 649.79
    diglyme 353.13
    acrylic acid 612.84
    isopropyl myristate 33.97
    n-butyric acid 374.46
    acetyl acetate 93.71
    di(2-ethylhexyl) phthalate 45.74
    ethyl propionate 68.03
    nitromethane 1225.82
    1,2-diethoxyethane 133.34
    benzonitrile 67.68
    trioctyl phosphate 37.43
    1-bromopropane 48.43
    gamma-valerolactone 442.7
    n-decanol 49.95
    triethyl phosphate 36.48
    4-methyl-2-pentanol 59.79
    propionitrile 176.28
    vinylene carbonate 155.37
    1,1,2-trichlorotrifluoroethane 332.49
    DMS 69.99
    cumene 8.11
    2-octanol 43.9
    2-hexanone 107.14
    octyl acetate 50.78
    limonene 28.4
    1,2-dimethoxyethane 347.76
    ethyl orthosilicate 35.64
    tributyl phosphate 43.2
    diacetone alcohol 149.96
    N,N-dimethylaniline 34.07
    acrylonitrile 250.57
    aniline 68.6
    1,3-propanediol 608.86
    bromobenzene 18.52
    dibromomethane 75.28
    1,1,2,2-tetrachloroethane 121.79
    2-methyl-cyclohexyl acetate 55.82
    tetrabutyl urea 65.25
    diisobutyl methanol 39.93
    2-phenylethanol 70.79
    styrene 10.76
    dioctyl adipate 64.19
    dimethyl sulfate 120.84
    ethyl butyrate 76.75
    methyl lactate 151.18
    butyl lactate 79.07
    diethyl carbonate 45.58
    propanediol butyl ether 190.31
    triethyl orthoformate 54.96
    p-tert-butyltoluene 13.88
    methyl 4-tert-butylbenzoate 69.08
    morpholine 507.77
    tert-butylamine 146.11
    n-dodecanol 38.12
    dimethoxymethane 251.63
    ethylene carbonate 121.53
    cyrene 131.15
    2-ethoxyethyl acetate 94.87
    2-ethylhexyl acetate 49.1
    1,2,4-trichlorobenzene 40.19
    4-methylpyridine 93.68
    dibutyl ether 56.31
    2,6-dimethyl-4-heptanol 39.93
    DEF 197.4
    dimethyl isosorbide 176.65
    tetrachloroethylene 108.87
    eugenol 90.04
    triacetin 108.79
    span 80 151.27
    1,4-butanediol 266.8
    1,1-dichloroethane 71.04
    2-methyl-1-pentanol 102.22
    methyl formate 381.98
    2-methyl-1-butanol 176.06
    n-decane 7.58
    butyronitrile 148.31
    3,7-dimethyl-1-octanol 61.46
    1-chlorooctane 27.44
    1-chlorotetradecane 11.28
    n-nonane 7.7
    undecane 5.61
    tert-butylcyclohexane 5.88
    cyclooctane 4.81
    cyclopentanol 319.94
    tetrahydropyran 261.87
    tert-amyl methyl ether 65.5
    2,5,8-trioxanonane 267.3
    1-hexene 31.69
    2-isopropoxyethanol 194.84
    2,2,2-trifluoroethanol 473.02
    methyl butyrate 104.86

    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