3-Heptoxy-3,7-dimethylocta-1,6-diene

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C17H32O

    SMILES
    CCCCCCCOC(C)(CCC=C(C)C)C=C

  • Odor profile

    Fragrance
    Floral 78.91%
    Fruity 69.5%
    Citrus 57.28%
    Rose 53.88%
    Fresh 53.07%
    Sweet 52.24%
    Waxy 47.43%
    Green 44.74%
    Tropical 38.8%
    Herbal 36.53%

     

    Flavor
    Floral 71.4%
    Green 54.9%
    Citrus 51.13%
    Waxy 48.72%
    Rose 45.07%
    Herbal 42.17%
    Fruity 39.3%
    Sweet 38.56%
    Fresh 38.21%
    Woody 36.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.09 (weak base)

    Molecular weight
    252.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 116.95 ˚C est.

  • Synonyms

    • SCHEMBL9718083

  • Applications

    3-Heptoxy-3,7-dimethylocta-1,6-diene finds applications in specialty fragrance formulations where it can act as an odorant and occasional fixative; it is also used as an intermediate in organic synthesis for fragrance-related precursors and other specialty polymers. In cosmetics and personal care, it may serve as a fragrance ingredient or aroma modifier within regulated formulations. In household products, it can be employed as a fragrance additive in cleaners and air fresheners. In polymers and plastics, the compound may be used as a reactive dienic intermediate or building block for the synthesis of specialty polymers, contributing unsaturation and compatibility with other monomers. In coatings and inks, it may be evaluated as a specialty monomer/additive to impart odor characteristics or as a precursor for copolymer systems. In industrial manufacturing, it commonly appears as an intermediate in formulations and process chemistry, with use governed by safety and regulatory constraints. CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6109.58
    methanol 2643.19
    isopropanol 5950.1
    water 0.15
    ethyl acetate 12036.58
    n-propanol 6065.56
    acetone 4909.36
    n-butanol 7824.65
    acetonitrile 2635.72
    DMF 1765.62
    toluene 5867.79
    isobutanol 5362.38
    1,4-dioxane 10783.25
    methyl acetate 4764.47
    THF 11840.36
    2-butanone 6842.25
    n-pentanol 5832.33
    sec-butanol 7888.7
    n-hexane 9973.42
    ethylene glycol 140.25
    NMP 2350.46
    cyclohexane 12773.22
    DMSO 2246.57
    n-butyl acetate 12599.38
    n-octanol 3798.93
    chloroform 13460.78
    n-propyl acetate 7111.58
    acetic acid 1997.21
    dichloromethane 12032.74
    cyclohexanone 9273.88
    propylene glycol 420.69
    isopropyl acetate 10089.83
    DMAc 3155.47
    2-ethoxyethanol 3760.97
    isopentanol 8339.12
    n-heptane 8336.41
    ethyl formate 2539.12
    1,2-dichloroethane 7937.82
    n-hexanol 8784.07
    2-methoxyethanol 3438.71
    isobutyl acetate 4857.71
    tetrachloromethane 3524.39
    n-pentyl acetate 7576.69
    transcutol 15695.26
    n-heptanol 3673.16
    ethylbenzene 3849.27
    MIBK 5626.37
    2-propoxyethanol 6337.01
    tert-butanol 8618.26
    MTBE 19809.24
    2-butoxyethanol 3765.9
    propionic acid 2143.8
    o-xylene 3467.38
    formic acid 245.43
    diethyl ether 22213.75
    m-xylene 3892.02
    p-xylene 4427.66
    chlorobenzene 4216.05
    dimethyl carbonate 832.28
    n-octane 2088.27
    formamide 377.56
    cyclopentanone 4502.57
    2-pentanone 8167.23
    anisole 3860.85
    cyclopentyl methyl ether 10482.69
    gamma-butyrolactone 3648.5
    1-methoxy-2-propanol 3630.3
    pyridine 6459.01
    3-pentanone 6013.47
    furfural 2620.65
    n-dodecane 838.03
    diethylene glycol 1552.85
    diisopropyl ether 9225.96
    tert-amyl alcohol 9867.65
    acetylacetone 5276.49
    n-hexadecane 961.07
    acetophenone 2783.51
    methyl propionate 4630.99
    isopentyl acetate 11659.22
    trichloroethylene 9761.55
    n-nonanol 3472.37
    cyclohexanol 8527.0
    benzyl alcohol 1916.0
    2-ethylhexanol 8597.56
    isooctanol 3546.36
    dipropyl ether 15226.76
    1,2-dichlorobenzene 3565.86
    ethyl lactate 1322.73
    propylene carbonate 2841.65
    n-methylformamide 855.65
    2-pentanol 8312.34
    n-pentane 6907.92
    1-propoxy-2-propanol 6690.18
    1-methoxy-2-propyl acetate 6726.03
    2-(2-methoxypropoxy) propanol 3024.55
    mesitylene 2634.06
    ε-caprolactone 8591.1
    p-cymene 2907.77
    epichlorohydrin 6319.93
    1,1,1-trichloroethane 9492.81
    2-aminoethanol 666.39
    morpholine-4-carbaldehyde 3868.91
    sulfolane 3162.69
    2,2,4-trimethylpentane 2804.28
    2-methyltetrahydrofuran 16272.86
    n-hexyl acetate 9398.87
    isooctane 2069.76
    2-(2-butoxyethoxy)ethanol 4526.95
    sec-butyl acetate 6821.38
    tert-butyl acetate 9583.45
    decalin 3582.24
    glycerin 428.41
    diglyme 8220.16
    acrylic acid 865.54
    isopropyl myristate 3157.72
    n-butyric acid 6388.94
    acetyl acetate 4970.39
    di(2-ethylhexyl) phthalate 1548.04
    ethyl propionate 6272.41
    nitromethane 2198.16
    1,2-diethoxyethane 14925.6
    benzonitrile 2696.81
    trioctyl phosphate 1318.44
    1-bromopropane 11571.85
    gamma-valerolactone 5768.19
    n-decanol 2321.44
    triethyl phosphate 2322.95
    4-methyl-2-pentanol 4783.21
    propionitrile 3602.77
    vinylene carbonate 2196.49
    1,1,2-trichlorotrifluoroethane 2754.6
    DMS 2768.3
    cumene 2482.26
    2-octanol 3312.19
    2-hexanone 6662.1
    octyl acetate 3430.16
    limonene 6371.41
    1,2-dimethoxyethane 7915.33
    ethyl orthosilicate 3089.28
    tributyl phosphate 1953.76
    diacetone alcohol 4546.13
    N,N-dimethylaniline 2655.12
    acrylonitrile 2002.1
    aniline 3282.28
    1,3-propanediol 1720.37
    bromobenzene 5299.36
    dibromomethane 10388.79
    1,1,2,2-tetrachloroethane 9369.64
    2-methyl-cyclohexyl acetate 5365.99
    tetrabutyl urea 2266.28
    diisobutyl methanol 4480.65
    2-phenylethanol 3076.99
    styrene 4075.26
    dioctyl adipate 3141.17
    dimethyl sulfate 861.51
    ethyl butyrate 9712.78
    methyl lactate 903.86
    butyl lactate 2731.72
    diethyl carbonate 4406.42
    propanediol butyl ether 2130.61
    triethyl orthoformate 6418.0
    p-tert-butyltoluene 2741.74
    methyl 4-tert-butylbenzoate 2587.58
    morpholine 12656.46
    tert-butylamine 8514.19
    n-dodecanol 1742.74
    dimethoxymethane 3378.32
    ethylene carbonate 2685.52
    cyrene 1424.39
    2-ethoxyethyl acetate 6433.28
    2-ethylhexyl acetate 10205.5
    1,2,4-trichlorobenzene 3739.02
    4-methylpyridine 7344.37
    dibutyl ether 12498.78
    2,6-dimethyl-4-heptanol 4480.65
    DEF 6927.26
    dimethyl isosorbide 4203.14
    tetrachloroethylene 6341.45
    eugenol 1815.53
    triacetin 3846.64
    span 80 2935.87
    1,4-butanediol 701.65
    1,1-dichloroethane 9360.42
    2-methyl-1-pentanol 6532.29
    methyl formate 568.76
    2-methyl-1-butanol 7502.56
    n-decane 1935.61
    butyronitrile 6181.98
    3,7-dimethyl-1-octanol 4923.36
    1-chlorooctane 4575.41
    1-chlorotetradecane 1486.49
    n-nonane 2328.99
    undecane 1158.23
    tert-butylcyclohexane 3346.17
    cyclooctane 4418.24
    cyclopentanol 4158.59
    tetrahydropyran 22735.06
    tert-amyl methyl ether 13267.39
    2,5,8-trioxanonane 4396.82
    1-hexene 14345.27
    2-isopropoxyethanol 3865.5
    2,2,2-trifluoroethanol 397.25
    methyl butyrate 7213.61

    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