3-Pentyn-2-ol

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  • Identifiers

    CAS number
    58072-60-9

    Molecular formula
    C5H8O

    SMILES
    CC#CC(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 37.97%
    Nutty 37.01%
    Floral 36.59%
    Sweet 34.55%
    Earthy 33.97%
    Alcoholic 31.39%
    Pungent 28.77%
    Musty 27.86%
    Ethereal 27.67%
    Oily 27.17%

     

    Flavor
    Bitter 30.6%
    Odorless 30.25%
    Sulfurous 24.25%
    Mild 22.77%
    Roasted 20.56%
    Onion 19.79%
    Meaty 19.68%
    Glue 18.99%
    Nitrile 18.9%
    Bloody 18.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.05 (weak base)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point

    • 40.1 ˚C est.

  • Synonyms

    • 3-Pentyn-2-ol
    • 58072-60-9
    • RefChem:95284
    • 626-906-1
    • pent-3-yn-2-ol
    • 27301-54-8
    • CMLDBU00000247
    • MFCD00046652
    • 1-methyl-2-butyn-1-ol
    • SCHEMBL83483
    • SCHEMBL127009
    • SCHEMBL445769
    • SCHEMBL614606
    • DTXSID50950026
    • 3-Pentyn-2-ol, >=98.0% (GC)
    • DA-23259
    • SY318744
    • CS-0264164
    • JL-003-123
    • EN300-92159
    • G29427
    • 27301-54-8

  • Applications

    3-Pentyn-2-ol (CAS 58072-60-9) is primarily used as a synthetic intermediate building block for propargyl derivatives, leveraging the alkyne moiety for reactions such as click chemistry. It serves as a framework in the synthesis of pharmaceuticals and agrochemicals, and is also explored as a precursor for polymer and materials chemistry where the alkyne functionality enables functionalization and crosslinking. In coatings, inks, and adhesives, it can act as a reactive intermediate to form durable linkages and networks. Additionally, it may be regarded as a precursor for fragrance ingredients in the fragrance industry and may be considered for cosmetic ingredient synthesis depending on formulation; use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4214.5
    methanol 5138.56
    isopropanol 2601.07
    water 137.09
    ethyl acetate 1136.09
    n-propanol 2532.93
    acetone 1873.9
    n-butanol 2116.37
    acetonitrile 1728.06
    DMF 1811.94
    toluene 270.51
    isobutanol 1468.07
    1,4-dioxane 2292.51
    methyl acetate 988.73
    THF 2906.42
    2-butanone 1025.51
    n-pentanol 1202.02
    sec-butanol 1786.47
    n-hexane 569.72
    ethylene glycol 1405.42
    NMP 1269.24
    cyclohexane 506.07
    DMSO 1722.72
    n-butyl acetate 666.62
    n-octanol 602.0
    chloroform 1179.61
    n-propyl acetate 497.1
    acetic acid 2951.22
    dichloromethane 1121.27
    cyclohexanone 1240.46
    propylene glycol 1189.24
    isopropyl acetate 542.55
    DMAc 840.11
    2-ethoxyethanol 1381.28
    isopentanol 1182.3
    n-heptane 362.55
    ethyl formate 738.87
    1,2-dichloroethane 707.98
    n-hexanol 1505.57
    2-methoxyethanol 2567.96
    isobutyl acetate 282.09
    tetrachloromethane 398.87
    n-pentyl acetate 399.42
    transcutol 2337.74
    n-heptanol 516.81
    ethylbenzene 125.24
    MIBK 436.08
    2-propoxyethanol 1704.18
    tert-butanol 2343.77
    MTBE 1126.24
    2-butoxyethanol 706.07
    propionic acid 1572.18
    o-xylene 159.32
    formic acid 1760.26
    diethyl ether 1843.8
    m-xylene 194.67
    p-xylene 153.02
    chlorobenzene 321.4
    dimethyl carbonate 275.42
    n-octane 109.6
    formamide 1333.33
    cyclopentanone 1352.04
    2-pentanone 1028.26
    anisole 323.91
    cyclopentyl methyl ether 1221.48
    gamma-butyrolactone 1483.49
    1-methoxy-2-propanol 1596.08
    pyridine 774.61
    3-pentanone 633.89
    furfural 941.73
    n-dodecane 73.72
    diethylene glycol 1460.2
    diisopropyl ether 401.21
    tert-amyl alcohol 1453.54
    acetylacetone 804.81
    n-hexadecane 78.42
    acetophenone 236.81
    methyl propionate 742.59
    isopentyl acetate 456.66
    trichloroethylene 847.21
    n-nonanol 477.39
    cyclohexanol 1410.77
    benzyl alcohol 335.91
    2-ethylhexanol 586.3
    isooctanol 352.1
    dipropyl ether 741.85
    1,2-dichlorobenzene 239.05
    ethyl lactate 257.56
    propylene carbonate 637.43
    n-methylformamide 1299.09
    2-pentanol 1309.14
    n-pentane 585.52
    1-propoxy-2-propanol 1044.04
    1-methoxy-2-propyl acetate 519.47
    2-(2-methoxypropoxy) propanol 492.29
    mesitylene 122.5
    ε-caprolactone 934.38
    p-cymene 120.78
    epichlorohydrin 1152.41
    1,1,1-trichloroethane 634.31
    2-aminoethanol 1767.65
    morpholine-4-carbaldehyde 1342.21
    sulfolane 1282.34
    2,2,4-trimethylpentane 135.4
    2-methyltetrahydrofuran 1978.39
    n-hexyl acetate 635.12
    isooctane 115.54
    2-(2-butoxyethoxy)ethanol 812.12
    sec-butyl acetate 284.65
    tert-butyl acetate 523.84
    decalin 111.26
    glycerin 1379.0
    diglyme 1167.63
    acrylic acid 1252.96
    isopropyl myristate 241.34
    n-butyric acid 1641.33
    acetyl acetate 581.42
    di(2-ethylhexyl) phthalate 184.68
    ethyl propionate 398.96
    nitromethane 2200.24
    1,2-diethoxyethane 775.0
    benzonitrile 386.57
    trioctyl phosphate 173.51
    1-bromopropane 725.18
    gamma-valerolactone 1551.78
    n-decanol 343.09
    triethyl phosphate 157.33
    4-methyl-2-pentanol 499.54
    propionitrile 1049.09
    vinylene carbonate 536.63
    1,1,2-trichlorotrifluoroethane 816.82
    DMS 312.05
    cumene 101.97
    2-octanol 376.12
    2-hexanone 556.89
    octyl acetate 318.25
    limonene 253.81
    1,2-dimethoxyethane 1520.0
    ethyl orthosilicate 164.62
    tributyl phosphate 199.53
    diacetone alcohol 689.04
    N,N-dimethylaniline 210.33
    acrylonitrile 889.42
    aniline 487.71
    1,3-propanediol 1982.94
    bromobenzene 255.31
    dibromomethane 897.25
    1,1,2,2-tetrachloroethane 676.68
    2-methyl-cyclohexyl acetate 263.24
    tetrabutyl urea 241.08
    diisobutyl methanol 283.85
    2-phenylethanol 391.92
    styrene 164.77
    dioctyl adipate 284.07
    dimethyl sulfate 346.91
    ethyl butyrate 392.59
    methyl lactate 441.77
    butyl lactate 302.45
    diethyl carbonate 221.68
    propanediol butyl ether 671.97
    triethyl orthoformate 266.13
    p-tert-butyltoluene 126.54
    methyl 4-tert-butylbenzoate 296.26
    morpholine 2469.65
    tert-butylamine 1433.68
    n-dodecanol 261.61
    dimethoxymethane 1153.25
    ethylene carbonate 533.98
    cyrene 350.89
    2-ethoxyethyl acetate 487.86
    2-ethylhexyl acetate 349.68
    1,2,4-trichlorobenzene 265.47
    4-methylpyridine 677.1
    dibutyl ether 553.41
    2,6-dimethyl-4-heptanol 283.85
    DEF 853.48
    dimethyl isosorbide 652.71
    tetrachloroethylene 584.16
    eugenol 321.54
    triacetin 390.1
    span 80 526.87
    1,4-butanediol 815.62
    1,1-dichloroethane 781.1
    2-methyl-1-pentanol 688.01
    methyl formate 890.46
    2-methyl-1-butanol 1163.58
    n-decane 129.3
    butyronitrile 1164.89
    3,7-dimethyl-1-octanol 444.86
    1-chlorooctane 322.08
    1-chlorotetradecane 134.41
    n-nonane 149.36
    undecane 92.92
    tert-butylcyclohexane 126.98
    cyclooctane 152.45
    cyclopentanol 1567.36
    tetrahydropyran 2354.92
    tert-amyl methyl ether 741.48
    2,5,8-trioxanonane 813.82
    1-hexene 853.41
    2-isopropoxyethanol 808.67
    2,2,2-trifluoroethanol 803.07
    methyl butyrate 510.31

    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