3-Penten-1-ol

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  • Identifiers

    CAS number
    39161-19-8

    Molecular formula
    C5H10O

    SMILES
    CC=CCCO

    Safety labels

  • Odor profile

    Fragrance
    Green 94.52%
    Fruity 85.87%
    Fresh 62.8%
    Vegetable 52.62%
    Herbal 51.72%
    Apple 44.24%
    Pungent 43.82%
    Leafy 43.16%
    Earthy 42.69%
    Grassy 40.97%

     

    Flavor
    Green 84.1%
    Bitter 49.13%
    Pungent 45.52%
    Vegetable 43.6%
    Musty 43.49%
    Fruity 43.13%
    Ethereal 38.48%
    Fresh 37.45%
    Earthy 37.3%
    Alcohol 37.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.75 (weak base)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    141°C

    Flash point

    • 45.64 ˚C est.

  • Synonyms

    • 3-Penten-1-ol
    • 39161-19-8
    • RefChem:1068451
    • 609-614-9
    • pent-3-en-1-ol
    • (z)-3-penten-1-ol
    • (E)-3-Penten-1-ol
    • Methylallylcarbinol
    • SCHEMBL96834
    • SCHEMBL96835
    • SCHEMBL1276030
    • SCHEMBL6904190
    • SCHEMBL7364556
    • SCHEMBL15561507
    • DTXSID70959955
    • AAA76437
    • 39161-19-8

  • Applications

    3-Penten-1-ol (CAS 39161-19-8) is an unsaturated allylic alcohol that serves primarily as a building block in fragrance and cosmetics, where it participates in the synthesis of esters and derivatives used for scents and personal-care ingredients; in the polymer and coatings sector, it is used as a monomer or linking/chain-terminating agent for unsaturated polyesters and UV-curable systems, and can act as a reactive diluent in coatings and inks; it also serves as a precursor for polyols and related compounds in polyurethane and other polymer formulations, enhancing functionality and crosslink potential; additionally, 3-Penten-1-ol is commonly converted to esters and specialty chemicals for broader industrial use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1720.89
    methanol 1930.71
    isopropanol 1364.28
    water 8.53
    ethyl acetate 381.08
    n-propanol 1317.18
    acetone 748.15
    n-butanol 1177.87
    acetonitrile 479.76
    DMF 996.86
    toluene 109.83
    isobutanol 824.93
    1,4-dioxane 819.92
    methyl acetate 409.53
    THF 1127.94
    2-butanone 459.97
    n-pentanol 595.04
    sec-butanol 922.86
    n-hexane 112.19
    ethylene glycol 557.43
    NMP 628.48
    cyclohexane 115.98
    DMSO 1226.79
    n-butyl acetate 391.73
    n-octanol 230.04
    chloroform 728.46
    n-propyl acetate 241.51
    acetic acid 965.39
    dichloromethane 497.59
    cyclohexanone 562.38
    propylene glycol 657.68
    isopropyl acetate 182.96
    DMAc 413.12
    2-ethoxyethanol 547.03
    isopentanol 655.63
    n-heptane 134.06
    ethyl formate 294.94
    1,2-dichloroethane 321.74
    n-hexanol 816.58
    2-methoxyethanol 1105.79
    isobutyl acetate 148.29
    tetrachloromethane 211.8
    n-pentyl acetate 159.94
    transcutol 935.45
    n-heptanol 281.13
    ethylbenzene 59.48
    MIBK 188.35
    2-propoxyethanol 885.41
    tert-butanol 1169.49
    MTBE 487.52
    2-butoxyethanol 385.08
    propionic acid 803.29
    o-xylene 78.42
    formic acid 354.98
    diethyl ether 461.6
    m-xylene 90.7
    p-xylene 76.99
    chlorobenzene 181.11
    dimethyl carbonate 91.9
    n-octane 34.89
    formamide 320.95
    cyclopentanone 671.56
    2-pentanone 404.53
    anisole 145.72
    cyclopentyl methyl ether 441.9
    gamma-butyrolactone 663.11
    1-methoxy-2-propanol 781.91
    pyridine 447.15
    3-pentanone 212.84
    furfural 498.47
    n-dodecane 24.35
    diethylene glycol 690.77
    diisopropyl ether 111.19
    tert-amyl alcohol 666.24
    acetylacetone 276.17
    n-hexadecane 25.89
    acetophenone 126.59
    methyl propionate 290.35
    isopentyl acetate 267.55
    trichloroethylene 525.41
    n-nonanol 184.24
    cyclohexanol 602.32
    benzyl alcohol 187.87
    2-ethylhexanol 366.33
    isooctanol 196.85
    dipropyl ether 373.19
    1,2-dichlorobenzene 144.49
    ethyl lactate 142.66
    propylene carbonate 303.55
    n-methylformamide 587.28
    2-pentanol 623.55
    n-pentane 122.48
    1-propoxy-2-propanol 645.37
    1-methoxy-2-propyl acetate 249.27
    2-(2-methoxypropoxy) propanol 239.92
    mesitylene 59.98
    ε-caprolactone 408.21
    p-cymene 70.54
    epichlorohydrin 542.39
    1,1,1-trichloroethane 346.78
    2-aminoethanol 903.55
    morpholine-4-carbaldehyde 600.97
    sulfolane 731.78
    2,2,4-trimethylpentane 48.42
    2-methyltetrahydrofuran 791.74
    n-hexyl acetate 216.72
    isooctane 46.65
    2-(2-butoxyethoxy)ethanol 374.09
    sec-butyl acetate 125.74
    tert-butyl acetate 191.31
    decalin 41.81
    glycerin 637.69
    diglyme 577.31
    acrylic acid 564.97
    isopropyl myristate 87.04
    n-butyric acid 836.52
    acetyl acetate 173.03
    di(2-ethylhexyl) phthalate 88.81
    ethyl propionate 167.39
    nitromethane 723.67
    1,2-diethoxyethane 322.27
    benzonitrile 213.3
    trioctyl phosphate 82.43
    1-bromopropane 334.6
    gamma-valerolactone 666.51
    n-decanol 137.69
    triethyl phosphate 80.76
    4-methyl-2-pentanol 241.76
    propionitrile 457.52
    vinylene carbonate 270.78
    1,1,2-trichlorotrifluoroethane 504.29
    DMS 120.38
    cumene 49.58
    2-octanol 159.89
    2-hexanone 270.21
    octyl acetate 117.62
    limonene 134.36
    1,2-dimethoxyethane 602.54
    ethyl orthosilicate 88.05
    tributyl phosphate 89.12
    diacetone alcohol 318.52
    N,N-dimethylaniline 101.53
    acrylonitrile 453.77
    aniline 248.27
    1,3-propanediol 989.27
    bromobenzene 147.32
    dibromomethane 406.35
    1,1,2,2-tetrachloroethane 462.81
    2-methyl-cyclohexyl acetate 140.81
    tetrabutyl urea 117.42
    diisobutyl methanol 166.85
    2-phenylethanol 224.23
    styrene 81.3
    dioctyl adipate 113.36
    dimethyl sulfate 148.22
    ethyl butyrate 228.79
    methyl lactate 207.05
    butyl lactate 159.29
    diethyl carbonate 119.15
    propanediol butyl ether 351.9
    triethyl orthoformate 152.0
    p-tert-butyltoluene 70.63
    methyl 4-tert-butylbenzoate 137.05
    morpholine 1002.27
    tert-butylamine 714.39
    n-dodecanol 105.95
    dimethoxymethane 430.39
    ethylene carbonate 229.1
    cyrene 188.78
    2-ethoxyethyl acetate 182.47
    2-ethylhexyl acetate 196.52
    1,2,4-trichlorobenzene 155.44
    4-methylpyridine 369.35
    dibutyl ether 198.68
    2,6-dimethyl-4-heptanol 166.85
    DEF 379.51
    dimethyl isosorbide 315.46
    tetrachloroethylene 354.18
    eugenol 172.9
    triacetin 156.53
    span 80 282.86
    1,4-butanediol 364.92
    1,1-dichloroethane 454.52
    2-methyl-1-pentanol 350.01
    methyl formate 325.66
    2-methyl-1-butanol 634.71
    n-decane 39.4
    butyronitrile 541.11
    3,7-dimethyl-1-octanol 192.68
    1-chlorooctane 112.53
    1-chlorotetradecane 47.95
    n-nonane 41.96
    undecane 29.79
    tert-butylcyclohexane 48.6
    cyclooctane 37.14
    cyclopentanol 811.24
    tetrahydropyran 842.52
    tert-amyl methyl ether 285.94
    2,5,8-trioxanonane 400.67
    1-hexene 277.99
    2-isopropoxyethanol 333.48
    2,2,2-trifluoroethanol 226.2
    methyl butyrate 251.69

    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