1,5-Hexadien-3-ol

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  • Identifiers

    CAS number
    924-41-4

    Molecular formula
    C6H10O

    SMILES
    C=CCC(C=C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 74.65%
    Pungent 50.77%
    Earthy 44.38%
    Metallic 44.04%
    Fruity 42.56%
    Radish 37.25%
    Mushroom 36.94%
    Vegetable 33.83%
    Alliaceous 30.88%
    Tomato 26.88%

     

    Flavor
    Bitter 41.52%
    Green 38.97%
    Pungent 37.56%
    Horseradish 32.07%
    Mustard 30.98%
    Metallic 25.37%
    Onion 23.72%
    Oily 22.98%
    Tropical 22.97%
    Vegetable 22.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.26 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    138°C

    Flash point

    • 34.69 ˚C est.

  • Synonyms

    • 1,5-Hexadien-3-ol
    • 924-41-4
    • 1,5-Hexadiene-3-ol
    • 3-hydroxy-1,5-hexadiene
    • EINECS 213-102-7
    • UNII-C38864PH9K
    • AI3-28611
    • C38864PH9K
    • NSC-102761
    • DTXSID6022135
    • NSC 102761
    • RefChem:73511
    • DTXCID302135
    • 213-102-7
    • SZYLTIUVWARXOO-UHFFFAOYSA-N
    • Hexa-1,5-dien-3-ol
    • MFCD00008662
    • 3-Hydroxy-1,5-hexadiene; 1,5-Hexadiene-3-ol; NSC 102761;
    • NSC102761
    • 1.5-Hexadien-3-ol
    • SCHEMBL29659
    • SCHEMBL174368
    • SCHEMBL346344
    • orb3021420
    • SCHEMBL1435251
    • 1,5-Hexadien-3-ol, 95%
    • AKOS015840484
    • SY139108
    • CS-0230804
    • NS00042148
    • EN300-105661
    • F17450
    • 1,5-HEXADIEN-3-OL, 95%,COLORLESS LIQUID
    • Q27275137
    • 924-41-4

  • Applications

    1,5-Hexadien-3-ol (CAS 924-41-4) is primarily used as an intermediate in the synthesis of fragrance materials and other aroma compounds for the perfumery industry; it is also employed as a precursor in cosmetics and personal care to develop fragrance ingredients; as a versatile building block bearing vinyl and hydroxyl functionality, it is evaluated for polymer and plastics applications, as well as coatings and inks, as a functional monomer or crosslinking component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 301.54
    methanol 341.5
    isopropanol 269.56
    water 2.91
    ethyl acetate 115.38
    n-propanol 259.3
    acetone 182.89
    n-butanol 272.34
    acetonitrile 115.61
    DMF 207.35
    toluene 28.43
    isobutanol 204.72
    1,4-dioxane 232.35
    methyl acetate 121.62
    THF 416.55
    2-butanone 158.6
    n-pentanol 194.49
    sec-butanol 249.71
    n-hexane 57.46
    ethylene glycol 81.74
    NMP 256.55
    cyclohexane 35.24
    DMSO 345.06
    n-butyl acetate 167.07
    n-octanol 120.8
    chloroform 166.98
    n-propyl acetate 106.93
    acetic acid 188.05
    dichloromethane 114.74
    cyclohexanone 209.75
    propylene glycol 121.93
    isopropyl acetate 81.07
    DMAc 162.07
    2-ethoxyethanol 176.47
    isopentanol 216.88
    n-heptane 54.14
    ethyl formate 78.5
    1,2-dichloroethane 80.93
    n-hexanol 279.13
    2-methoxyethanol 246.93
    isobutyl acetate 82.97
    tetrachloromethane 47.58
    n-pentyl acetate 83.86
    transcutol 467.55
    n-heptanol 121.72
    ethylbenzene 26.61
    MIBK 104.56
    2-propoxyethanol 283.53
    tert-butanol 326.39
    MTBE 194.21
    2-butoxyethanol 148.42
    propionic acid 182.74
    o-xylene 32.59
    formic acid 58.98
    diethyl ether 148.41
    m-xylene 34.26
    p-xylene 36.55
    chlorobenzene 51.61
    dimethyl carbonate 31.15
    n-octane 18.57
    formamide 51.43
    cyclopentanone 254.36
    2-pentanone 144.65
    anisole 66.85
    cyclopentyl methyl ether 172.89
    gamma-butyrolactone 237.34
    1-methoxy-2-propanol 221.52
    pyridine 98.96
    3-pentanone 88.23
    furfural 169.68
    n-dodecane 14.47
    diethylene glycol 195.23
    diisopropyl ether 59.46
    tert-amyl alcohol 259.56
    acetylacetone 112.93
    n-hexadecane 15.27
    acetophenone 68.39
    methyl propionate 89.13
    isopentyl acetate 142.56
    trichloroethylene 138.54
    n-nonanol 100.75
    cyclohexanol 186.8
    benzyl alcohol 70.82
    2-ethylhexanol 163.92
    isooctanol 103.48
    dipropyl ether 156.48
    1,2-dichlorobenzene 52.3
    ethyl lactate 66.8
    propylene carbonate 133.97
    n-methylformamide 101.8
    2-pentanol 203.26
    n-pentane 45.93
    1-propoxy-2-propanol 231.0
    1-methoxy-2-propyl acetate 111.96
    2-(2-methoxypropoxy) propanol 142.86
    mesitylene 30.24
    ε-caprolactone 162.98
    p-cymene 40.61
    epichlorohydrin 184.57
    1,1,1-trichloroethane 92.61
    2-aminoethanol 149.76
    morpholine-4-carbaldehyde 204.97
    sulfolane 309.54
    2,2,4-trimethylpentane 29.66
    2-methyltetrahydrofuran 299.7
    n-hexyl acetate 124.87
    isooctane 27.24
    2-(2-butoxyethoxy)ethanol 191.55
    sec-butyl acetate 73.62
    tert-butyl acetate 101.75
    decalin 24.47
    glycerin 144.0
    diglyme 264.61
    acrylic acid 128.24
    isopropyl myristate 60.58
    n-butyric acid 216.21
    acetyl acetate 62.4
    di(2-ethylhexyl) phthalate 56.94
    ethyl propionate 73.96
    nitromethane 180.49
    1,2-diethoxyethane 147.99
    benzonitrile 75.37
    trioctyl phosphate 51.86
    1-bromopropane 91.61
    gamma-valerolactone 225.83
    n-decanol 79.1
    triethyl phosphate 51.27
    4-methyl-2-pentanol 113.74
    propionitrile 115.05
    vinylene carbonate 96.1
    1,1,2-trichlorotrifluoroethane 151.14
    DMS 62.18
    cumene 31.44
    2-octanol 85.31
    2-hexanone 141.61
    octyl acetate 73.58
    limonene 72.48
    1,2-dimethoxyethane 237.61
    ethyl orthosilicate 54.31
    tributyl phosphate 58.75
    diacetone alcohol 152.62
    N,N-dimethylaniline 57.5
    acrylonitrile 105.95
    aniline 62.22
    1,3-propanediol 187.96
    bromobenzene 41.95
    dibromomethane 95.07
    1,1,2,2-tetrachloroethane 137.86
    2-methyl-cyclohexyl acetate 94.34
    tetrabutyl urea 71.93
    diisobutyl methanol 90.09
    2-phenylethanol 93.07
    styrene 30.71
    dioctyl adipate 77.45
    dimethyl sulfate 60.41
    ethyl butyrate 112.85
    methyl lactate 77.18
    butyl lactate 84.19
    diethyl carbonate 63.19
    propanediol butyl ether 153.96
    triethyl orthoformate 79.81
    p-tert-butyltoluene 40.99
    methyl 4-tert-butylbenzoate 90.07
    morpholine 249.37
    tert-butylamine 222.5
    n-dodecanol 62.75
    dimethoxymethane 121.37
    ethylene carbonate 81.98
    cyrene 116.45
    2-ethoxyethyl acetate 86.55
    2-ethylhexyl acetate 109.59
    1,2,4-trichlorobenzene 63.37
    4-methylpyridine 98.51
    dibutyl ether 112.3
    2,6-dimethyl-4-heptanol 90.09
    DEF 130.41
    dimethyl isosorbide 184.41
    tetrachloroethylene 97.36
    eugenol 92.96
    triacetin 105.16
    span 80 145.62
    1,4-butanediol 94.92
    1,1-dichloroethane 105.44
    2-methyl-1-pentanol 170.01
    methyl formate 69.56
    2-methyl-1-butanol 212.07
    n-decane 23.16
    butyronitrile 140.19
    3,7-dimethyl-1-octanol 119.64
    1-chlorooctane 62.95
    1-chlorotetradecane 28.81
    n-nonane 24.15
    undecane 17.82
    tert-butylcyclohexane 31.7
    cyclooctane 16.05
    cyclopentanol 218.6
    tetrahydropyran 243.75
    tert-amyl methyl ether 144.65
    2,5,8-trioxanonane 207.71
    1-hexene 127.47
    2-isopropoxyethanol 144.95
    2,2,2-trifluoroethanol 55.54
    methyl butyrate 110.37

    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