Octa-1,3-dien-1-ol

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  • Identifiers

    CAS number
    51195-61-0

    Molecular formula
    C8H14O

    SMILES
    CCCCC=CC=CO

  • Odor profile

    Fragrance
    Green 88.26%
    Leafy 41.14%
    Fatty 40.51%
    Vegetable 38.1%
    Melon 35.15%
    Fruity 32.22%
    Fresh 31.07%
    Herbal 28.56%
    Cucumber 28.43%
    Pungent 27.67%

     

    Flavor
    Fatty 64.28%
    Green 62.9%
    Cucumber 48.4%
    Melon 47.63%
    Citrus 46.65%
    Fat 40.82%
    Fresh 38.09%
    Sweet 37.39%
    Waxy 36.01%
    Orange 35.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.07 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    193°C

    Flash point

    • 89.14 ˚C est.

  • Synonyms

    • OCTA-1,3-DIEN-1-OL
    • 51195-61-0
    • DTXSID50789616
    • Octadienol
    • Hydroxyoctadiene
    • octadienyl alcohol
    • DTXCID60740359
    • HZYABSBSRWFZEG-UHFFFAOYSA-N

  • Applications

    Octa-1,3-dien-1-ol (CAS number: 51195-61-0) is mainly used as an intermediate in the synthesis of fragrance compounds and cosmetic ingredients, supporting perfumery and personal care formulations; it also serves as a building block for specialty polymers and resins, where the allylic hydroxyl group and conjugated diene enable functionalization or polymerization to yield materials with tailored properties. In coatings, inks, and adhesives, it can act as a reactive precursor for resin systems and enable further functional modification. Additionally, it may be used in research and development as a starting material for oxidation, esterification, or other transformations of the hydroxyl group to generate derivatives for various applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8441.44
    methanol 8330.98
    isopropanol 6337.31
    water 0.39
    ethyl acetate 3567.93
    n-propanol 6506.29
    acetone 7268.93
    n-butanol 5727.53
    acetonitrile 2301.61
    DMF 4846.0
    toluene 757.43
    isobutanol 4155.81
    1,4-dioxane 3282.83
    methyl acetate 2587.19
    THF 7566.77
    2-butanone 4245.12
    n-pentanol 2914.05
    sec-butanol 4165.2
    n-hexane 693.74
    ethylene glycol 861.14
    NMP 2536.84
    cyclohexane 519.8
    DMSO 8786.94
    n-butyl acetate 3052.7
    n-octanol 686.77
    chloroform 2181.65
    n-propyl acetate 2115.87
    acetic acid 2931.97
    dichloromethane 2403.26
    cyclohexanone 4116.17
    propylene glycol 1498.66
    isopropyl acetate 1774.6
    DMAc 1693.78
    2-ethoxyethanol 2427.58
    isopentanol 3856.31
    n-heptane 394.4
    ethyl formate 1606.06
    1,2-dichloroethane 2338.02
    n-hexanol 3592.82
    2-methoxyethanol 5476.47
    isobutyl acetate 1025.35
    tetrachloromethane 548.77
    n-pentyl acetate 922.21
    transcutol 5644.73
    n-heptanol 885.69
    ethylbenzene 339.62
    MIBK 1716.02
    2-propoxyethanol 3601.35
    tert-butanol 5810.65
    MTBE 3757.33
    2-butoxyethanol 1311.87
    propionic acid 2887.48
    o-xylene 371.63
    formic acid 682.5
    diethyl ether 3368.13
    m-xylene 583.99
    p-xylene 401.72
    chlorobenzene 855.21
    dimethyl carbonate 531.71
    n-octane 89.39
    formamide 1165.92
    cyclopentanone 5464.47
    2-pentanone 4326.89
    anisole 725.31
    cyclopentyl methyl ether 3812.06
    gamma-butyrolactone 4466.43
    1-methoxy-2-propanol 4160.7
    pyridine 2443.78
    3-pentanone 1988.13
    furfural 1949.11
    n-dodecane 45.54
    diethylene glycol 1763.77
    diisopropyl ether 926.94
    tert-amyl alcohol 3571.04
    acetylacetone 2362.83
    n-hexadecane 51.01
    acetophenone 588.14
    methyl propionate 2566.72
    isopentyl acetate 2042.87
    trichloroethylene 3390.47
    n-nonanol 534.37
    cyclohexanol 3086.05
    benzyl alcohol 717.92
    2-ethylhexanol 1541.34
    isooctanol 654.21
    dipropyl ether 2305.29
    1,2-dichlorobenzene 588.53
    ethyl lactate 513.8
    propylene carbonate 1615.1
    n-methylformamide 3016.82
    2-pentanol 3366.17
    n-pentane 520.21
    1-propoxy-2-propanol 2827.68
    1-methoxy-2-propyl acetate 1667.14
    2-(2-methoxypropoxy) propanol 673.65
    mesitylene 325.07
    ε-caprolactone 2657.21
    p-cymene 274.95
    epichlorohydrin 4472.99
    1,1,1-trichloroethane 1936.21
    2-aminoethanol 2525.8
    morpholine-4-carbaldehyde 2200.35
    sulfolane 4414.43
    2,2,4-trimethylpentane 177.8
    2-methyltetrahydrofuran 6087.94
    n-hexyl acetate 1137.15
    isooctane 191.38
    2-(2-butoxyethoxy)ethanol 1209.03
    sec-butyl acetate 1082.55
    tert-butyl acetate 1680.92
    decalin 187.34
    glycerin 1236.99
    diglyme 2255.7
    acrylic acid 1628.9
    isopropyl myristate 312.96
    n-butyric acid 4481.25
    acetyl acetate 950.27
    di(2-ethylhexyl) phthalate 237.29
    ethyl propionate 1476.12
    nitromethane 3563.31
    1,2-diethoxyethane 2308.95
    benzonitrile 826.56
    trioctyl phosphate 222.09
    1-bromopropane 1753.36
    gamma-valerolactone 4221.35
    n-decanol 380.54
    triethyl phosphate 325.87
    4-methyl-2-pentanol 1238.08
    propionitrile 2338.87
    vinylene carbonate 1129.66
    1,1,2-trichlorotrifluoroethane 2234.44
    DMS 531.87
    cumene 224.03
    2-octanol 511.79
    2-hexanone 2330.33
    octyl acetate 411.72
    limonene 613.42
    1,2-dimethoxyethane 3517.52
    ethyl orthosilicate 374.19
    tributyl phosphate 293.29
    diacetone alcohol 1993.14
    N,N-dimethylaniline 407.23
    acrylonitrile 2194.44
    aniline 1322.05
    1,3-propanediol 3362.17
    bromobenzene 799.78
    dibromomethane 1895.83
    1,1,2,2-tetrachloroethane 2674.72
    2-methyl-cyclohexyl acetate 695.63
    tetrabutyl urea 371.77
    diisobutyl methanol 730.85
    2-phenylethanol 872.94
    styrene 499.76
    dioctyl adipate 397.16
    dimethyl sulfate 727.42
    ethyl butyrate 1597.39
    methyl lactate 799.65
    butyl lactate 610.63
    diethyl carbonate 640.59
    propanediol butyl ether 1038.09
    triethyl orthoformate 770.83
    p-tert-butyltoluene 272.27
    methyl 4-tert-butylbenzoate 405.8
    morpholine 5380.93
    tert-butylamine 3688.27
    n-dodecanol 271.78
    dimethoxymethane 3070.6
    ethylene carbonate 1084.35
    cyrene 514.32
    2-ethoxyethyl acetate 1056.57
    2-ethylhexyl acetate 1378.76
    1,2,4-trichlorobenzene 663.73
    4-methylpyridine 2271.17
    dibutyl ether 1150.88
    2,6-dimethyl-4-heptanol 730.85
    DEF 3034.35
    dimethyl isosorbide 1048.09
    tetrachloroethylene 1927.24
    eugenol 455.28
    triacetin 556.16
    span 80 742.88
    1,4-butanediol 989.39
    1,1-dichloroethane 2447.39
    2-methyl-1-pentanol 1812.1
    methyl formate 1601.72
    2-methyl-1-butanol 3392.92
    n-decane 87.3
    butyronitrile 3288.84
    3,7-dimethyl-1-octanol 687.58
    1-chlorooctane 394.34
    1-chlorotetradecane 119.89
    n-nonane 98.14
    undecane 60.33
    tert-butylcyclohexane 211.94
    cyclooctane 173.62
    cyclopentanol 3699.72
    tetrahydropyran 5373.39
    tert-amyl methyl ether 1951.71
    2,5,8-trioxanonane 1090.23
    1-hexene 2107.43
    2-isopropoxyethanol 1490.48
    2,2,2-trifluoroethanol 472.41
    methyl butyrate 2194.84

    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