1-Penten-2-ol

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  • Identifiers

    CAS number
    61923-56-6

    Molecular formula
    C5H10O

    SMILES
    CCCC(=C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.17%
    Cheesy 58.73%
    Pungent 46.4%
    Green 38.27%
    Ethereal 36.25%
    Fermented 36.01%
    Sharp 33.67%
    Sweet 33.27%
    Herbal 31.35%
    Sour 30.97%

     

    Flavor
    Cheese 40.16%
    Pungent 38.97%
    Sweat 34.0%
    Sour 32.42%
    Acidic 31.4%
    Rancid 30.86%
    Ethereal 27.79%
    Cheesy 26.88%
    Butter 26.5%
    Sweaty 26.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.84 (weak base)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    125°C

    Flash point

    • 33.26 ˚C est.

  • Synonyms

    • 1-Pentene-2-ol
    • 1-Penten-2-ol
    • pent-1-en-2-ol
    • 61923-56-6
    • DTXSID50210955
    • RefChem:907792
    • DTXCID80133446
    • 612-714-5
    • Penten-2-ol
    • SCHEMBL97348
    • SCHEMBL715031
    • SCHEMBL3463322
    • DB-363727
    • 61923-56-6

  • Applications

    1-Penten-2-ol (CAS 61923-56-6) is primarily used as a chiral building block and intermediate in organic synthesis, serving as a precursor to fragrance and flavor compounds through esterification or oxidation routes. It is commonly evaluated for the preparation of esters and other derivatives that find use in perfumery and cosmetics, leveraging its allylic alcohol and vinyl functionality for further functionalization. In industrial manufacturing, it can be converted to epoxy or acrylate derivatives for use in coatings, adhesives, and specialty polymers. It may also be explored as a reactive intermediate in pharmaceutical and agrochemical research due to its stereochemistry and versatile functional groups. As with other specialty chemicals, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1129.08
    methanol 1633.58
    isopropanol 761.57
    water 14.18
    ethyl acetate 280.99
    n-propanol 741.7
    acetone 490.67
    n-butanol 715.52
    acetonitrile 261.77
    DMF 403.2
    toluene 46.68
    isobutanol 488.5
    1,4-dioxane 552.98
    methyl acetate 235.71
    THF 1018.01
    2-butanone 313.07
    n-pentanol 451.37
    sec-butanol 560.55
    n-hexane 161.42
    ethylene glycol 281.66
    NMP 448.71
    cyclohexane 85.25
    DMSO 458.7
    n-butyl acetate 383.71
    n-octanol 308.95
    chloroform 261.4
    n-propyl acetate 191.82
    acetic acid 744.86
    dichloromethane 178.77
    cyclohexanone 454.25
    propylene glycol 347.26
    isopropyl acetate 189.18
    DMAc 250.21
    2-ethoxyethanol 399.96
    isopentanol 487.81
    n-heptane 138.25
    ethyl formate 182.63
    1,2-dichloroethane 125.32
    n-hexanol 843.56
    2-methoxyethanol 689.37
    isobutyl acetate 149.35
    tetrachloromethane 75.8
    n-pentyl acetate 196.66
    transcutol 1133.83
    n-heptanol 281.71
    ethylbenzene 35.38
    MIBK 189.49
    2-propoxyethanol 741.16
    tert-butanol 751.53
    MTBE 384.35
    2-butoxyethanol 343.53
    propionic acid 475.86
    o-xylene 46.35
    formic acid 315.77
    diethyl ether 385.68
    m-xylene 53.92
    p-xylene 53.77
    chlorobenzene 82.35
    dimethyl carbonate 53.99
    n-octane 39.09
    formamide 189.5
    cyclopentanone 510.93
    2-pentanone 308.94
    anisole 101.78
    cyclopentyl methyl ether 382.18
    gamma-butyrolactone 531.48
    1-methoxy-2-propanol 496.92
    pyridine 178.94
    3-pentanone 182.98
    furfural 313.57
    n-dodecane 28.44
    diethylene glycol 474.54
    diisopropyl ether 132.89
    tert-amyl alcohol 545.77
    acetylacetone 237.12
    n-hexadecane 30.11
    acetophenone 96.5
    methyl propionate 182.96
    isopentyl acetate 318.92
    trichloroethylene 211.17
    n-nonanol 252.6
    cyclohexanol 429.71
    benzyl alcohol 115.18
    2-ethylhexanol 388.88
    isooctanol 201.75
    dipropyl ether 339.27
    1,2-dichlorobenzene 77.18
    ethyl lactate 94.24
    propylene carbonate 257.49
    n-methylformamide 270.76
    2-pentanol 437.26
    n-pentane 110.67
    1-propoxy-2-propanol 570.71
    1-methoxy-2-propyl acetate 266.73
    2-(2-methoxypropoxy) propanol 271.35
    mesitylene 43.13
    ε-caprolactone 366.7
    p-cymene 63.1
    epichlorohydrin 343.51
    1,1,1-trichloroethane 147.0
    2-aminoethanol 466.31
    morpholine-4-carbaldehyde 405.41
    sulfolane 473.49
    2,2,4-trimethylpentane 54.0
    2-methyltetrahydrofuran 710.63
    n-hexyl acetate 313.73
    isooctane 46.31
    2-(2-butoxyethoxy)ethanol 420.36
    sec-butyl acetate 124.93
    tert-butyl acetate 211.26
    decalin 40.16
    glycerin 393.94
    diglyme 496.11
    acrylic acid 319.07
    isopropyl myristate 118.44
    n-butyric acid 582.67
    acetyl acetate 149.71
    di(2-ethylhexyl) phthalate 109.73
    ethyl propionate 139.54
    nitromethane 460.01
    1,2-diethoxyethane 343.32
    benzonitrile 128.81
    trioctyl phosphate 97.86
    1-bromopropane 143.73
    gamma-valerolactone 541.69
    n-decanol 185.3
    triethyl phosphate 73.68
    4-methyl-2-pentanol 229.41
    propionitrile 227.56
    vinylene carbonate 175.35
    1,1,2-trichlorotrifluoroethane 277.58
    DMS 126.24
    cumene 41.46
    2-octanol 188.68
    2-hexanone 277.3
    octyl acetate 159.56
    limonene 134.41
    1,2-dimethoxyethane 497.86
    ethyl orthosilicate 82.34
    tributyl phosphate 115.35
    diacetone alcohol 289.61
    N,N-dimethylaniline 77.74
    acrylonitrile 187.42
    aniline 111.81
    1,3-propanediol 543.58
    bromobenzene 60.53
    dibromomethane 143.67
    1,1,2,2-tetrachloroethane 194.97
    2-methyl-cyclohexyl acetate 170.28
    tetrabutyl urea 138.41
    diisobutyl methanol 178.45
    2-phenylethanol 188.49
    styrene 40.56
    dioctyl adipate 144.1
    dimethyl sulfate 79.25
    ethyl butyrate 193.66
    methyl lactate 130.83
    butyl lactate 170.83
    diethyl carbonate 100.82
    propanediol butyl ether 348.76
    triethyl orthoformate 138.53
    p-tert-butyltoluene 64.88
    methyl 4-tert-butylbenzoate 146.31
    morpholine 640.24
    tert-butylamine 492.22
    n-dodecanol 136.91
    dimethoxymethane 256.31
    ethylene carbonate 169.69
    cyrene 170.79
    2-ethoxyethyl acetate 199.64
    2-ethylhexyl acetate 239.02
    1,2,4-trichlorobenzene 94.09
    4-methylpyridine 181.18
    dibutyl ether 265.71
    2,6-dimethyl-4-heptanol 178.45
    DEF 261.76
    dimethyl isosorbide 358.15
    tetrachloroethylene 153.15
    eugenol 155.79
    triacetin 188.11
    span 80 318.25
    1,4-butanediol 242.85
    1,1-dichloroethane 154.68
    2-methyl-1-pentanol 338.13
    methyl formate 168.87
    2-methyl-1-butanol 448.14
    n-decane 49.74
    butyronitrile 299.68
    3,7-dimethyl-1-octanol 266.7
    1-chlorooctane 137.89
    1-chlorotetradecane 54.46
    n-nonane 53.2
    undecane 36.07
    tert-butylcyclohexane 54.9
    cyclooctane 33.49
    cyclopentanol 526.33
    tetrahydropyran 614.21
    tert-amyl methyl ether 279.41
    2,5,8-trioxanonane 381.36
    1-hexene 286.23
    2-isopropoxyethanol 279.64
    2,2,2-trifluoroethanol 166.26
    methyl butyrate 194.99

    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