3-Pentyn-1-ol

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  • Identifiers

    CAS number
    10229-10-4

    Molecular formula
    C5H8O

    SMILES
    CC#CCCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 49.58%
    Green 48.51%
    Fruity 47.03%
    Sweet 41.97%
    Oily 40.58%
    Fermented 35.61%
    Alcoholic 35.44%
    Ethereal 30.65%
    Pungent 29.83%
    Fresh 29.18%

     

    Flavor
    Bitter 34.52%
    Sulfurous 33.14%
    Odorless 25.15%
    Roasted 22.59%
    Mild 21.53%
    Meaty 20.6%
    Onion 20.46%
    Glue 19.4%
    Fishy 19.25%
    Bloody 19.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.74 (neutral)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    160°C

    Flash point

    • 53.86 ˚C est.

  • Synonyms

    • 3-Pentyn-1-ol
    • pent-3-yn-1-ol
    • 10229-10-4
    • MFCD00002956
    • 3-pentynol
    • EINECS 233-550-7
    • AI3-37256
    • 3-Pentyn-1-ol, 97%
    • SCHEMBL487343
    • SCHEMBL710650
    • SCHEMBL964462
    • SCHEMBL6903394
    • SCHEMBL7366071
    • DTXSID6065008
    • SBB009118
    • AKOS009156820
    • SY050545
    • CS-0143647
    • NS00023134
    • P0816
    • EN300-66119
    • D92016
    • Z1033337288
    • 10229-10-4

  • Applications

    3-Pentyn-1-ol (CAS 10229-10-4) is primarily used as an organic synthesis intermediate, enabling the introduction of alkyne functionality into molecules via reactions such as esterification or ether formation of this alcohol. In the polymer and plastics sector, it is commonly employed as a building block to modify or extend chains with an alkyne group for post-polymerization functionalization. In coatings and adhesives, it serves as a reactive intermediate to facilitate crosslinking and to improve adhesion and durability, leveraging the alkyne functionality in downstream coupling strategies such as click chemistry. It is also regarded as a precursor for surface-functionalization and electronics-related applications where alkyne groups are used for post-synthesis modification and integration with other materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2893.87
    methanol 4125.23
    isopropanol 1939.48
    water 43.88
    ethyl acetate 751.21
    n-propanol 2004.52
    acetone 1518.02
    n-butanol 1482.96
    acetonitrile 1380.91
    DMF 2600.62
    toluene 215.56
    isobutanol 1096.63
    1,4-dioxane 1766.92
    methyl acetate 936.44
    THF 1669.12
    2-butanone 919.44
    n-pentanol 728.4
    sec-butanol 1195.92
    n-hexane 132.28
    ethylene glycol 1603.68
    NMP 1242.74
    cyclohexane 161.0
    DMSO 2550.66
    n-butyl acetate 373.07
    n-octanol 285.46
    chloroform 1348.68
    n-propyl acetate 349.53
    acetic acid 1913.13
    dichloromethane 1153.57
    cyclohexanone 942.12
    propylene glycol 1275.73
    isopropyl acetate 299.19
    DMAc 981.36
    2-ethoxyethanol 1038.94
    isopentanol 732.37
    n-heptane 126.78
    ethyl formate 622.48
    1,2-dichloroethane 734.05
    n-hexanol 746.55
    2-methoxyethanol 2348.12
    isobutyl acetate 187.4
    tetrachloromethane 404.53
    n-pentyl acetate 219.17
    transcutol 1284.99
    n-heptanol 282.73
    ethylbenzene 84.53
    MIBK 278.5
    2-propoxyethanol 1099.98
    tert-butanol 1494.82
    MTBE 658.75
    2-butoxyethanol 468.74
    propionic acid 1431.24
    o-xylene 119.69
    formic acid 1245.75
    diethyl ether 941.37
    m-xylene 133.62
    p-xylene 104.27
    chlorobenzene 301.59
    dimethyl carbonate 245.64
    n-octane 40.94
    formamide 1212.52
    cyclopentanone 1180.22
    2-pentanone 699.87
    anisole 257.08
    cyclopentyl methyl ether 619.69
    gamma-butyrolactone 1190.0
    1-methoxy-2-propanol 1340.66
    pyridine 892.1
    3-pentanone 433.07
    furfural 966.57
    n-dodecane 30.72
    diethylene glycol 1197.09
    diisopropyl ether 159.59
    tert-amyl alcohol 894.28
    acetylacetone 549.15
    n-hexadecane 33.32
    acetophenone 208.4
    methyl propionate 610.79
    isopentyl acetate 242.34
    trichloroethylene 1091.15
    n-nonanol 224.81
    cyclohexanol 761.14
    benzyl alcohol 307.68
    2-ethylhexanol 283.18
    isooctanol 194.29
    dipropyl ether 366.37
    1,2-dichlorobenzene 223.55
    ethyl lactate 241.43
    propylene carbonate 516.63
    n-methylformamide 1662.87
    2-pentanol 734.02
    n-pentane 171.36
    1-propoxy-2-propanol 660.22
    1-methoxy-2-propyl acetate 328.84
    2-(2-methoxypropoxy) propanol 310.81
    mesitylene 81.88
    ε-caprolactone 653.01
    p-cymene 77.11
    epichlorohydrin 1065.59
    1,1,1-trichloroethane 696.82
    2-aminoethanol 1846.42
    morpholine-4-carbaldehyde 1345.64
    sulfolane 1183.21
    2,2,4-trimethylpentane 53.46
    2-methyltetrahydrofuran 1084.26
    n-hexyl acetate 305.53
    isooctane 44.95
    2-(2-butoxyethoxy)ethanol 484.58
    sec-butyl acetate 170.26
    tert-butyl acetate 288.36
    decalin 47.44
    glycerin 1414.7
    diglyme 866.39
    acrylic acid 1195.47
    isopropyl myristate 117.64
    n-butyric acid 1221.03
    acetyl acetate 348.97
    di(2-ethylhexyl) phthalate 111.66
    ethyl propionate 280.5
    nitromethane 2115.64
    1,2-diethoxyethane 397.86
    benzonitrile 352.2
    trioctyl phosphate 104.06
    1-bromopropane 561.41
    gamma-valerolactone 1299.09
    n-decanol 164.53
    triethyl phosphate 108.53
    4-methyl-2-pentanol 263.69
    propionitrile 919.62
    vinylene carbonate 487.8
    1,1,2-trichlorotrifluoroethane 938.47
    DMS 217.73
    cumene 65.56
    2-octanol 182.63
    2-hexanone 349.57
    octyl acetate 159.76
    limonene 135.7
    1,2-dimethoxyethane 1114.83
    ethyl orthosilicate 108.79
    tributyl phosphate 110.4
    diacetone alcohol 510.47
    N,N-dimethylaniline 163.21
    acrylonitrile 1070.33
    aniline 429.62
    1,3-propanediol 1715.28
    bromobenzene 261.33
    dibromomethane 857.21
    1,1,2,2-tetrachloroethane 857.06
    2-methyl-cyclohexyl acetate 144.79
    tetrabutyl urea 156.05
    diisobutyl methanol 153.67
    2-phenylethanol 266.85
    styrene 129.12
    dioctyl adipate 158.0
    dimethyl sulfate 372.51
    ethyl butyrate 256.41
    methyl lactate 443.9
    butyl lactate 207.6
    diethyl carbonate 149.64
    propanediol butyl ether 460.34
    triethyl orthoformate 160.46
    p-tert-butyltoluene 78.98
    methyl 4-tert-butylbenzoate 208.73
    morpholine 1966.15
    tert-butylamine 832.41
    n-dodecanol 130.79
    dimethoxymethane 1063.66
    ethylene carbonate 430.54
    cyrene 264.0
    2-ethoxyethyl acetate 285.35
    2-ethylhexyl acetate 175.08
    1,2,4-trichlorobenzene 244.53
    4-methylpyridine 660.88
    dibutyl ether 231.19
    2,6-dimethyl-4-heptanol 153.67
    DEF 783.58
    dimethyl isosorbide 389.48
    tetrachloroethylene 667.78
    eugenol 252.08
    triacetin 250.71
    span 80 338.5
    1,4-butanediol 695.68
    1,1-dichloroethane 894.06
    2-methyl-1-pentanol 400.87
    methyl formate 958.78
    2-methyl-1-butanol 745.55
    n-decane 50.1
    butyronitrile 886.19
    3,7-dimethyl-1-octanol 221.36
    1-chlorooctane 149.96
    1-chlorotetradecane 63.38
    n-nonane 54.93
    undecane 37.68
    tert-butylcyclohexane 52.8
    cyclooctane 47.75
    cyclopentanol 1029.98
    tetrahydropyran 1314.68
    tert-amyl methyl ether 395.54
    2,5,8-trioxanonane 566.33
    1-hexene 314.48
    2-isopropoxyethanol 518.06
    2,2,2-trifluoroethanol 566.63
    methyl butyrate 401.15

    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