3-Octen-2-ol

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  • Identifiers

    CAS number
    76649-14-4

    Molecular formula
    C8H16O

    SMILES
    CCCCC=CC(C)O

  • Odor profile

    Fragrance
    Green 89.04%
    Fatty 69.36%
    Earthy 65.77%
    Mushroom 60.7%
    Oily 55.24%
    Melon 54.52%
    Vegetable 53.86%
    Waxy 52.07%
    Fruity 49.48%
    Cucumber 46.38%

     

    Flavor
    Green 79.56%
    Fresh 55.61%
    Melon 44.1%
    Fruity 43.89%
    Waxy 43.09%
    Oily 39.45%
    Mushroom 38.95%
    Herbal 38.64%
    Citrus 36.7%
    Earthy 34.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.13 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    180°C

    Flash point

    • 73.49 ˚C est.

    Solubility expt.

    • insoluble in water and fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • oct-3-en-2-ol
    • 76649-14-4
    • DTXSID50866638
    • EINECS 278-508-9
    • 3-OCTEN-2-OL [FHFI]
    • 0347391ZTJ
    • DTXCID60814903
    • YJJIVDCKSZMHGZ-UHFFFAOYSA-N
    • NS00058320
    • 278-508-9

  • Applications

    3-Octen-2-ol (CAS 76649-14-4) is an allylic alcohol used as an odor-active component in perfumery and flavor applications; it also serves as a chemical intermediate for the synthesis of fragrance compounds such as esters and other aroma ingredients in industrial fragrance chemistry; in cosmetics and personal care, it appears as a fragrance ingredient; in household products and cleaners, it functions as an odorant additive; in industrial manufacturing it may be used as a building block for aroma-chemical production; in coatings and inks it can function as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8189.35
    methanol 7815.19
    isopropanol 7094.47
    water 1.52
    ethyl acetate 2300.17
    n-propanol 6503.6
    acetone 4789.04
    n-butanol 6637.38
    acetonitrile 2091.06
    DMF 2904.6
    toluene 732.66
    isobutanol 4503.58
    1,4-dioxane 3492.71
    methyl acetate 1632.6
    THF 6251.54
    2-butanone 2847.33
    n-pentanol 3414.87
    sec-butanol 5007.84
    n-hexane 1854.53
    ethylene glycol 1015.73
    NMP 1617.19
    cyclohexane 1319.5
    DMSO 4016.25
    n-butyl acetate 2628.12
    n-octanol 1092.17
    chloroform 2800.84
    n-propyl acetate 1558.31
    acetic acid 2479.36
    dichloromethane 2145.24
    cyclohexanone 3317.32
    propylene glycol 1702.7
    isopropyl acetate 1380.41
    DMAc 1203.54
    2-ethoxyethanol 2223.41
    isopentanol 4250.21
    n-heptane 988.47
    ethyl formate 1196.29
    1,2-dichloroethane 1696.22
    n-hexanol 4747.28
    2-methoxyethanol 4467.57
    isobutyl acetate 857.81
    tetrachloromethane 875.56
    n-pentyl acetate 897.24
    transcutol 4423.82
    n-heptanol 1223.7
    ethylbenzene 381.48
    MIBK 1308.14
    2-propoxyethanol 3816.02
    tert-butanol 6375.97
    MTBE 3785.53
    2-butoxyethanol 1416.89
    propionic acid 2269.5
    o-xylene 386.53
    formic acid 674.75
    diethyl ether 4080.92
    m-xylene 521.72
    p-xylene 442.33
    chlorobenzene 731.7
    dimethyl carbonate 306.16
    n-octane 207.25
    formamide 738.86
    cyclopentanone 3273.77
    2-pentanone 2967.24
    anisole 635.02
    cyclopentyl methyl ether 3075.44
    gamma-butyrolactone 2448.32
    1-methoxy-2-propanol 3308.26
    pyridine 1995.15
    3-pentanone 1507.88
    furfural 1399.25
    n-dodecane 100.19
    diethylene glycol 1894.33
    diisopropyl ether 1041.11
    tert-amyl alcohol 3954.13
    acetylacetone 1448.75
    n-hexadecane 109.76
    acetophenone 464.93
    methyl propionate 1428.13
    isopentyl acetate 1861.11
    trichloroethylene 2256.16
    n-nonanol 821.89
    cyclohexanol 3654.98
    benzyl alcohol 644.73
    2-ethylhexanol 2160.24
    isooctanol 854.97
    dipropyl ether 2699.23
    1,2-dichlorobenzene 511.46
    ethyl lactate 452.37
    propylene carbonate 1139.07
    n-methylformamide 1760.57
    2-pentanol 3978.64
    n-pentane 1348.9
    1-propoxy-2-propanol 2795.73
    1-methoxy-2-propyl acetate 1299.46
    2-(2-methoxypropoxy) propanol 749.68
    mesitylene 331.43
    ε-caprolactone 2164.34
    p-cymene 324.82
    epichlorohydrin 2385.51
    1,1,1-trichloroethane 1684.53
    2-aminoethanol 2506.04
    morpholine-4-carbaldehyde 1621.01
    sulfolane 2307.42
    2,2,4-trimethylpentane 360.17
    2-methyltetrahydrofuran 4973.37
    n-hexyl acetate 1239.65
    isooctane 329.01
    2-(2-butoxyethoxy)ethanol 1329.54
    sec-butyl acetate 855.1
    tert-butyl acetate 1292.45
    decalin 342.24
    glycerin 1411.51
    diglyme 1997.44
    acrylic acid 1316.29
    isopropyl myristate 367.3
    n-butyric acid 4025.63
    acetyl acetate 738.97
    di(2-ethylhexyl) phthalate 292.24
    ethyl propionate 1016.36
    nitromethane 2030.53
    1,2-diethoxyethane 2051.31
    benzonitrile 798.3
    trioctyl phosphate 287.38
    1-bromopropane 2003.27
    gamma-valerolactone 2702.62
    n-decanol 577.02
    triethyl phosphate 325.67
    4-methyl-2-pentanol 1519.59
    propionitrile 2273.22
    vinylene carbonate 832.03
    1,1,2-trichlorotrifluoroethane 1549.3
    DMS 446.79
    cumene 253.53
    2-octanol 774.76
    2-hexanone 2010.38
    octyl acetate 476.01
    limonene 807.41
    1,2-dimethoxyethane 3187.8
    ethyl orthosilicate 399.97
    tributyl phosphate 358.49
    diacetone alcohol 1478.78
    N,N-dimethylaniline 379.78
    acrylonitrile 1679.39
    aniline 1192.83
    1,3-propanediol 3302.24
    bromobenzene 682.34
    dibromomethane 1923.41
    1,1,2,2-tetrachloroethane 2082.92
    2-methyl-cyclohexyl acetate 684.42
    tetrabutyl urea 402.89
    diisobutyl methanol 891.17
    2-phenylethanol 910.69
    styrene 504.98
    dioctyl adipate 450.96
    dimethyl sulfate 400.47
    ethyl butyrate 1327.2
    methyl lactate 583.09
    butyl lactate 660.21
    diethyl carbonate 560.5
    propanediol butyl ether 1280.1
    triethyl orthoformate 795.47
    p-tert-butyltoluene 330.43
    methyl 4-tert-butylbenzoate 432.27
    morpholine 4927.85
    tert-butylamine 4566.81
    n-dodecanol 421.66
    dimethoxymethane 1876.58
    ethylene carbonate 892.86
    cyrene 515.96
    2-ethoxyethyl acetate 841.82
    2-ethylhexyl acetate 1361.62
    1,2,4-trichlorobenzene 553.98
    4-methylpyridine 1861.74
    dibutyl ether 1525.6
    2,6-dimethyl-4-heptanol 891.17
    DEF 2114.44
    dimethyl isosorbide 958.85
    tetrachloroethylene 1636.31
    eugenol 469.79
    triacetin 602.02
    span 80 944.79
    1,4-butanediol 1088.82
    1,1-dichloroethane 2236.62
    2-methyl-1-pentanol 2145.3
    methyl formate 955.72
    2-methyl-1-butanol 3681.66
    n-decane 204.91
    butyronitrile 3278.37
    3,7-dimethyl-1-octanol 982.62
    1-chlorooctane 608.95
    1-chlorotetradecane 193.43
    n-nonane 245.04
    undecane 134.53
    tert-butylcyclohexane 350.68
    cyclooctane 381.02
    cyclopentanol 3769.82
    tetrahydropyran 5782.95
    tert-amyl methyl ether 2057.04
    2,5,8-trioxanonane 1103.55
    1-hexene 3511.63
    2-isopropoxyethanol 1452.91
    2,2,2-trifluoroethanol 435.49
    methyl butyrate 1596.32

    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