Hepta-1,6-dien-4-ol

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  • Identifiers

    CAS number
    2883-45-6

    Molecular formula
    C7H12O

    SMILES
    C=CCC(CC=C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 63.54%
    Fruity 42.08%
    Pungent 41.23%
    Earthy 36.1%
    Metallic 34.45%
    Mushroom 31.34%
    Radish 27.71%
    Vegetable 27.05%
    Alliaceous 22.86%
    Tomato 22.19%

     

    Flavor
    Sulfurous 28.5%
    Pungent 27.45%
    Onion 25.94%
    Bitter 25.27%
    Green 25.1%
    Horseradish 23.8%
    Mustard 22.73%
    Metallic 22.54%
    Tropical 20.88%
    Ocimene 20.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.08 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    155°C

    Flash point

    • 50.49 ˚C est.

  • Synonyms

    • Hepta-1,6-dien-4-ol
    • 1,6-HEPTADIEN-4-OL
    • AI3-37263
    • EINECS 220-742-0
    • NSC 97509
    • BRN 1736942
    • DTXSID70870999
    • 4-01-00-02249 (Beilstein Handbook Reference)
    • Hepta1,6dien4ol
    • RefChem:783575
    • DTXCID30818675
    • 220-742-0
    • 2883-45-6
    • 1,6-Heptadiene-4-ol
    • MFCD00008663
    • VD28S33WW8
    • NSC-97509
    • diallylcarbinol
    • NSC97509
    • UNII-VD28S33WW8
    • SCHEMBL347521
    • SCHEMBL1252355
    • SCHEMBL5881412
    • SCHEMBL10337315
    • 1,6-Heptadien-4-ol, 97%
    • CHEBI:229301
    • BBL104178
    • STL557992
    • AKOS005259695
    • MS-20807
    • SY045301
    • DB-068013
    • CS-0064549
    • NS00048790
    • EN300-187657
    • 883H456
    • F303128
    • 2883-45-6

  • Applications

    Hepta-1,6-dien-4-ol (CAS 2883-45-6) is primarily regarded as an organic synthesis intermediate with potential applications in fragrance chemistry and cosmetics. It can be used as a component or precursor for fragrance-related derivatives and may appear in personal care formulations under appropriate regulatory limits. Additionally, it is considered a building block for specialty polymers and may play a role in coating and ink technologies in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.43
    methanol 269.55
    isopropanol 189.9
    water 0.91
    ethyl acetate 66.52
    n-propanol 208.66
    acetone 109.0
    n-butanol 209.78
    acetonitrile 82.88
    DMF 150.2
    toluene 31.5
    isobutanol 144.41
    1,4-dioxane 199.89
    methyl acetate 68.0
    THF 392.43
    2-butanone 89.72
    n-pentanol 131.04
    sec-butanol 169.52
    n-hexane 93.02
    ethylene glycol 54.84
    NMP 191.89
    cyclohexane 112.74
    DMSO 233.67
    n-butyl acetate 125.15
    n-octanol 102.1
    chloroform 217.61
    n-propyl acetate 63.94
    acetic acid 154.32
    dichloromethane 158.57
    cyclohexanone 183.53
    propylene glycol 88.69
    isopropyl acetate 41.12
    DMAc 105.4
    2-ethoxyethanol 105.78
    isopentanol 135.45
    n-heptane 135.08
    ethyl formate 61.2
    1,2-dichloroethane 87.24
    n-hexanol 264.67
    2-methoxyethanol 177.49
    isobutyl acetate 49.26
    tetrachloromethane 51.16
    n-pentyl acetate 63.43
    transcutol 291.23
    n-heptanol 99.73
    ethylbenzene 27.52
    MIBK 51.61
    2-propoxyethanol 208.05
    tert-butanol 197.46
    MTBE 96.78
    2-butoxyethanol 105.91
    propionic acid 133.51
    o-xylene 30.13
    formic acid 41.25
    diethyl ether 119.52
    m-xylene 29.1
    p-xylene 36.8
    chlorobenzene 55.52
    dimethyl carbonate 20.15
    n-octane 30.26
    formamide 36.14
    cyclopentanone 199.3
    2-pentanone 82.3
    anisole 52.05
    cyclopentyl methyl ether 143.18
    gamma-butyrolactone 192.75
    1-methoxy-2-propanol 138.5
    pyridine 107.91
    3-pentanone 60.64
    furfural 141.89
    n-dodecane 19.5
    diethylene glycol 135.38
    diisopropyl ether 38.84
    tert-amyl alcohol 141.47
    acetylacetone 58.22
    n-hexadecane 21.01
    acetophenone 51.7
    methyl propionate 57.83
    isopentyl acetate 91.71
    trichloroethylene 134.07
    n-nonanol 87.48
    cyclohexanol 178.22
    benzyl alcohol 52.48
    2-ethylhexanol 150.21
    isooctanol 74.84
    dipropyl ether 165.48
    1,2-dichlorobenzene 53.73
    ethyl lactate 45.95
    propylene carbonate 118.27
    n-methylformamide 73.79
    2-pentanol 128.17
    n-pentane 89.44
    1-propoxy-2-propanol 174.0
    1-methoxy-2-propyl acetate 77.95
    2-(2-methoxypropoxy) propanol 107.15
    mesitylene 24.39
    ε-caprolactone 139.68
    p-cymene 40.2
    epichlorohydrin 145.57
    1,1,1-trichloroethane 84.11
    2-aminoethanol 100.25
    morpholine-4-carbaldehyde 151.9
    sulfolane 237.91
    2,2,4-trimethylpentane 27.89
    2-methyltetrahydrofuran 229.08
    n-hexyl acetate 96.9
    isooctane 21.52
    2-(2-butoxyethoxy)ethanol 137.52
    sec-butyl acetate 41.27
    tert-butyl acetate 50.05
    decalin 33.38
    glycerin 100.92
    diglyme 189.94
    acrylic acid 96.58
    isopropyl myristate 52.28
    n-butyric acid 167.8
    acetyl acetate 36.06
    di(2-ethylhexyl) phthalate 52.82
    ethyl propionate 48.47
    nitromethane 111.74
    1,2-diethoxyethane 106.03
    benzonitrile 67.38
    trioctyl phosphate 47.22
    1-bromopropane 110.13
    gamma-valerolactone 179.42
    n-decanol 66.62
    triethyl phosphate 47.31
    4-methyl-2-pentanol 61.77
    propionitrile 95.52
    vinylene carbonate 90.41
    1,1,2-trichlorotrifluoroethane 123.47
    DMS 52.47
    cumene 27.83
    2-octanol 66.05
    2-hexanone 81.72
    octyl acetate 65.02
    limonene 79.81
    1,2-dimethoxyethane 168.63
    ethyl orthosilicate 49.8
    tributyl phosphate 53.31
    diacetone alcohol 79.38
    N,N-dimethylaniline 48.53
    acrylonitrile 79.75
    aniline 54.15
    1,3-propanediol 135.97
    bromobenzene 50.24
    dibromomethane 142.41
    1,1,2,2-tetrachloroethane 132.5
    2-methyl-cyclohexyl acetate 83.12
    tetrabutyl urea 69.97
    diisobutyl methanol 76.49
    2-phenylethanol 71.85
    styrene 32.42
    dioctyl adipate 74.02
    dimethyl sulfate 36.74
    ethyl butyrate 88.4
    methyl lactate 49.59
    butyl lactate 68.18
    diethyl carbonate 56.78
    propanediol butyl ether 111.31
    triethyl orthoformate 76.99
    p-tert-butyltoluene 41.33
    methyl 4-tert-butylbenzoate 72.18
    morpholine 217.79
    tert-butylamine 153.56
    n-dodecanol 55.37
    dimethoxymethane 86.72
    ethylene carbonate 77.77
    cyrene 88.95
    2-ethoxyethyl acetate 59.57
    2-ethylhexyl acetate 80.47
    1,2,4-trichlorobenzene 62.2
    4-methylpyridine 88.51
    dibutyl ether 110.82
    2,6-dimethyl-4-heptanol 76.49
    DEF 85.48
    dimethyl isosorbide 153.96
    tetrachloroethylene 96.73
    eugenol 73.52
    triacetin 81.11
    span 80 130.8
    1,4-butanediol 58.94
    1,1-dichloroethane 94.61
    2-methyl-1-pentanol 94.38
    methyl formate 49.46
    2-methyl-1-butanol 136.76
    n-decane 32.79
    butyronitrile 124.58
    3,7-dimethyl-1-octanol 86.89
    1-chlorooctane 67.74
    1-chlorotetradecane 32.17
    n-nonane 36.14
    undecane 24.08
    tert-butylcyclohexane 33.4
    cyclooctane 37.04
    cyclopentanol 203.7
    tetrahydropyran 248.88
    tert-amyl methyl ether 78.31
    2,5,8-trioxanonane 163.81
    1-hexene 129.94
    2-isopropoxyethanol 77.77
    2,2,2-trifluoroethanol 37.28
    methyl butyrate 73.22

    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