3-Buten-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    627-27-0

    Molecular formula
    C4H8O

    SMILES
    C=CCCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 68.9%
    Green 63.72%
    Pungent 56.67%
    Ethereal 51.76%
    Sharp 43.89%
    Fermented 37.12%
    Fresh 34.7%
    Alcoholic 32.1%
    Alliaceous 30.71%
    Vegetable 26.99%

     

    Flavor
    Pungent 57.17%
    Bitter 51.77%
    Green 43.91%
    Ethereal 31.37%
    Mustard 31.35%
    Vegetable 30.24%
    Musty 28.91%
    Alcohol 26.34%
    Horseradish 26.09%
    Formyl 21.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.1 (weak base)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 113.50 °C. @ 760.00 mm Hg

    Flash point

    • 31.31 ˚C est.

  • Synonyms

    • 3-Buten-1-ol
    • 627-27-0
    • but-3-en-1-ol
    • Allylcarbinol
    • 3-Butenyl alcohol
    • 1-Buten-4-ol
    • Vinylethyl alcohol
    • 3-Butene-1-OL
    • Homoallyl Alcohol
    • MFCD00002959
    • CH2=CHCH2CH2OH
    • BUTEN-(3)-O1-(L)
    • 3-Buten-1-O1
    • 3DB2KRM1I9
    • NSC-60194
    • NSC 60194
    • UNII-3DB2KRM1I9
    • 3-butenol
    • hydroxy-3-butene
    • 3-butene-ol
    • 3-buten-ol
    • EINECS 210-991-3
    • AI3-30545
    • SCHEMBL1835
    • SCHEMBL1836
    • 3-Buten-1-ol, 96%
    • CH2=CH(CH2)2OH
    • SCHEMBL127731
    • SCHEMBL131041
    • SCHEMBL412812
    • SCHEMBL572518
    • orb3023381
    • SCHEMBL7365197
    • DTXSID2060836
    • SCHEMBL12115350
    • SCHEMBL18694726
    • CHEBI:193941
    • NSC60194
    • AKOS000121865
    • AB00288
    • FB32430
    • SY010782
    • DB-000892
    • 3-Buten-1-ol, purum, >=98.0% (GC)
    • B0236
    • CS-0008447
    • NS00005477
    • EN300-28907
    • P16638
    • F114900
    • Q27257071
    • F0001-1684
    • InChI=1/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H
    • 25086-71-9
    • 627-27-0

  • Applications

    3-Buten-1-ol (CAS 627-27-0) is a hydroxy-functional vinyl compound used as a versatile chemical intermediate. In polymer and plastics manufacturing it serves as a hydroxy-functional monomer for the synthesis of polyurethanes and other polyols, and as a reactive co-monomer in unsaturated polymer systems and resins. It is also employed in coatings and inks as a reactive diluent and crosslinking partner, enabling improved adhesion and network formation. In fragrance and flavor chemistry it can be used as a building block to prepare homoallyl derivatives and aroma compounds. It may also be used as an intermediate in organic synthesis to access other functional materials, with handling governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 726.78
    methanol 1118.7
    isopropanol 392.17
    water 23.98
    ethyl acetate 127.73
    n-propanol 476.03
    acetone 251.34
    n-butanol 423.62
    acetonitrile 135.07
    DMF 367.78
    toluene 12.92
    isobutanol 285.39
    1,4-dioxane 277.38
    methyl acetate 133.04
    THF 484.4
    2-butanone 150.89
    n-pentanol 212.13
    sec-butanol 286.56
    n-hexane 22.63
    ethylene glycol 271.15
    NMP 334.74
    cyclohexane 28.87
    DMSO 612.53
    n-butyl acetate 184.98
    n-octanol 97.12
    chloroform 115.17
    n-propyl acetate 93.89
    acetic acid 922.53
    dichloromethane 94.04
    cyclohexanone 253.53
    propylene glycol 252.73
    isopropyl acetate 66.03
    DMAc 176.44
    2-ethoxyethanol 245.45
    isopentanol 245.63
    n-heptane 42.38
    ethyl formate 115.41
    1,2-dichloroethane 71.35
    n-hexanol 320.0
    2-methoxyethanol 509.48
    isobutyl acetate 54.53
    tetrachloromethane 37.52
    n-pentyl acetate 72.22
    transcutol 694.52
    n-heptanol 106.39
    ethylbenzene 8.55
    MIBK 64.11
    2-propoxyethanol 355.84
    tert-butanol 366.23
    MTBE 103.79
    2-butoxyethanol 173.27
    propionic acid 453.6
    o-xylene 14.61
    formic acid 456.75
    diethyl ether 113.15
    m-xylene 14.8
    p-xylene 13.89
    chlorobenzene 37.17
    dimethyl carbonate 29.72
    n-octane 10.57
    formamide 343.52
    cyclopentanone 299.35
    2-pentanone 129.48
    anisole 39.25
    cyclopentyl methyl ether 168.3
    gamma-butyrolactone 362.35
    1-methoxy-2-propanol 291.04
    pyridine 120.22
    3-pentanone 76.13
    furfural 252.74
    n-dodecane 7.38
    diethylene glycol 331.27
    diisopropyl ether 31.62
    tert-amyl alcohol 236.31
    acetylacetone 117.64
    n-hexadecane 7.76
    acetophenone 45.35
    methyl propionate 98.15
    isopentyl acetate 128.13
    trichloroethylene 135.8
    n-nonanol 81.91
    cyclohexanol 276.38
    benzyl alcohol 58.89
    2-ethylhexanol 152.92
    isooctanol 80.28
    dipropyl ether 137.65
    1,2-dichlorobenzene 35.48
    ethyl lactate 58.78
    propylene carbonate 160.95
    n-methylformamide 290.04
    2-pentanol 206.64
    n-pentane 26.48
    1-propoxy-2-propanol 290.18
    1-methoxy-2-propyl acetate 116.59
    2-(2-methoxypropoxy) propanol 137.78
    mesitylene 12.55
    ε-caprolactone 206.39
    p-cymene 22.23
    epichlorohydrin 207.8
    1,1,1-trichloroethane 57.73
    2-aminoethanol 413.0
    morpholine-4-carbaldehyde 294.16
    sulfolane 377.85
    2,2,4-trimethylpentane 12.92
    2-methyltetrahydrofuran 301.9
    n-hexyl acetate 100.93
    isooctane 10.56
    2-(2-butoxyethoxy)ethanol 223.46
    sec-butyl acetate 47.28
    tert-butyl acetate 71.63
    decalin 9.89
    glycerin 326.04
    diglyme 293.82
    acrylic acid 358.03
    isopropyl myristate 41.05
    n-butyric acid 443.33
    acetyl acetate 74.0
    di(2-ethylhexyl) phthalate 48.55
    ethyl propionate 59.01
    nitromethane 520.98
    1,2-diethoxyethane 151.51
    benzonitrile 63.12
    trioctyl phosphate 40.64
    1-bromopropane 51.43
    gamma-valerolactone 337.65
    n-decanol 61.09
    triethyl phosphate 40.49
    4-methyl-2-pentanol 83.11
    propionitrile 116.19
    vinylene carbonate 126.75
    1,1,2-trichlorotrifluoroethane 224.17
    DMS 56.03
    cumene 11.09
    2-octanol 61.0
    2-hexanone 101.59
    octyl acetate 58.81
    limonene 47.58
    1,2-dimethoxyethane 246.5
    ethyl orthosilicate 42.46
    tributyl phosphate 50.21
    diacetone alcohol 137.89
    N,N-dimethylaniline 29.13
    acrylonitrile 129.25
    aniline 66.27
    1,3-propanediol 480.5
    bromobenzene 22.83
    dibromomethane 66.6
    1,1,2,2-tetrachloroethane 114.07
    2-methyl-cyclohexyl acetate 75.63
    tetrabutyl urea 65.16
    diisobutyl methanol 69.15
    2-phenylethanol 81.46
    styrene 11.34
    dioctyl adipate 66.31
    dimethyl sulfate 57.33
    ethyl butyrate 108.6
    methyl lactate 87.46
    butyl lactate 87.97
    diethyl carbonate 53.63
    propanediol butyl ether 172.76
    triethyl orthoformate 75.11
    p-tert-butyltoluene 21.58
    methyl 4-tert-butylbenzoate 65.54
    morpholine 381.78
    tert-butylamine 195.25
    n-dodecanol 47.33
    dimethoxymethane 132.11
    ethylene carbonate 108.17
    cyrene 109.9
    2-ethoxyethyl acetate 83.95
    2-ethylhexyl acetate 90.65
    1,2,4-trichlorobenzene 44.1
    4-methylpyridine 82.43
    dibutyl ether 84.6
    2,6-dimethyl-4-heptanol 69.15
    DEF 153.56
    dimethyl isosorbide 188.84
    tetrachloroethylene 103.98
    eugenol 81.56
    triacetin 91.91
    span 80 165.24
    1,4-butanediol 178.5
    1,1-dichloroethane 59.05
    2-methyl-1-pentanol 140.21
    methyl formate 156.57
    2-methyl-1-butanol 242.78
    n-decane 12.77
    butyronitrile 136.28
    3,7-dimethyl-1-octanol 87.01
    1-chlorooctane 36.29
    1-chlorotetradecane 15.37
    n-nonane 12.88
    undecane 9.25
    tert-butylcyclohexane 11.73
    cyclooctane 8.99
    cyclopentanol 351.63
    tetrahydropyran 273.97
    tert-amyl methyl ether 80.66
    2,5,8-trioxanonane 225.71
    1-hexene 53.01
    2-isopropoxyethanol 144.66
    2,2,2-trifluoroethanol 210.61
    methyl butyrate 94.15

    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