Benzene, (2-(bis((3,7-dimethyl-2,6-octadien-1-yl)oxy)methyl)-1-hepten-1-yl)-

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  • Identifiers

    CAS number
    67785-69-7

    Molecular formula
    C34H52O2

    SMILES
    CCCCC/C(=C\C1=CC=CC=C1)/C(OC/C=C(/CCC=C(C)C)\C)OC/C=C(/CCC=C(C)C)\C

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.39%
    Rose 54.38%
    Fruity 52.81%
    Sweet 47.76%
    Balsamic 46.85%
    Green 46.6%
    Waxy 40.89%
    Fresh 40.79%
    Tropical 37.96%
    Lily 36.74%

     

    Flavor
    Floral 45.93%
    Herbal 39.25%
    Waxy 33.18%
    Balsam 33.15%
    Green 29.91%
    Fresh 25.35%
    Rose 25.14%
    Flower 24.33%
    Sweet 24.21%
    Wood 23.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.6

    pKa est.
    7.4 (neutral)

    Molecular weight
    492.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    509°C

    Flash point

    • 200.0 ˚C est.

  • Synonyms

    • Amyl cinnamic aldehyde, digeranyl acetal
    • EINECS 267-067-8
    • alpha-Amylcinnamic aldehyde digeranyl acetal
    • Benzene, (2-(bis((3,7-dimethyl-2,6-octadien-1-yl)oxy)methyl)-1-hepten-1-yl)-
    • Benzene, [2-[bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]methyl]-1-hepten-1-yl]-
    • RefChem:562102
    • [2-[Bis[(3,7-dimethyl-2,6-octadienyl)oxy]methyl]-1-heptenyl]benzene
    • 67785-69-7
    • (2-(Bis((3,7-dimethyl-2,6-octadienyl)oxy)methyl)-1-heptenyl)benzene
    • SCHEMBL9933467
    • DTXSID9070581
    • OAUIRXVDLGQWKJ-ZHQIOBSCSA-N
    • (2-{bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]methyl}hept-1-en-1-yl)benzene
    • Benzene, (2-(bis((3,7-dimethyl-2,6-octadienyl)oxy)methyl)-1-heptenyl)-
    • 67785-69-7

  • Applications

    Benzene, (2-(bis((3,7-dimethyl-2,6-octadien-1-yl)oxy)methyl)-1-hepten-1-yl)-, CAS 67785-69-7, is primarily used as a fragrance material in perfumery where it serves as an odorant and can function as a long-acting fixative; it is also used in cosmetics and personal care products to impart scent, and in household products such as air fresheners and scented cleaners. In industrial settings, it may be employed as a fragrance additive in polymers, coatings and inks to provide aroma, and as an intermediate in fragrance synthesis to tailor scent profiles, subject to formulation regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.26
    methanol 13.16
    isopropanol 23.8
    water 0.04
    ethyl acetate 451.37
    n-propanol 44.88
    acetone 135.47
    n-butanol 68.32
    acetonitrile 37.5
    DMF 89.36
    toluene 348.56
    isobutanol 46.0
    1,4-dioxane 253.98
    methyl acetate 193.73
    THF 546.43
    2-butanone 269.0
    n-pentanol 81.91
    sec-butanol 70.47
    n-hexane 143.23
    ethylene glycol 0.79
    NMP 337.33
    cyclohexane 168.55
    DMSO 80.79
    n-butyl acetate 365.85
    n-octanol 70.11
    chloroform 1056.65
    n-propyl acetate 330.89
    acetic acid 80.62
    dichloromethane 1018.2
    cyclohexanone 540.26
    propylene glycol 3.45
    isopropyl acetate 390.58
    DMAc 398.47
    2-ethoxyethanol 90.94
    isopentanol 91.93
    n-heptane 98.48
    ethyl formate 88.0
    1,2-dichloroethane 610.77
    n-hexanol 80.23
    2-methoxyethanol 56.74
    isobutyl acetate 252.45
    tetrachloromethane 195.15
    n-pentyl acetate 406.94
    transcutol 563.95
    n-heptanol 82.24
    ethylbenzene 261.93
    MIBK 274.29
    2-propoxyethanol 126.89
    tert-butanol 52.2
    MTBE 310.66
    2-butoxyethanol 161.26
    propionic acid 69.37
    o-xylene 251.44
    formic acid 9.48
    diethyl ether 346.55
    m-xylene 253.47
    p-xylene 294.58
    chlorobenzene 411.14
    dimethyl carbonate 93.75
    n-octane 37.45
    formamide 17.19
    cyclopentanone 400.35
    2-pentanone 353.14
    anisole 335.82
    cyclopentyl methyl ether 518.42
    gamma-butyrolactone 389.91
    1-methoxy-2-propanol 83.14
    pyridine 290.56
    3-pentanone 370.98
    furfural 249.67
    n-dodecane 15.89
    diethylene glycol 22.59
    diisopropyl ether 194.09
    tert-amyl alcohol 128.04
    acetylacetone 363.83
    n-hexadecane 19.56
    acetophenone 326.55
    methyl propionate 268.82
    isopentyl acetate 409.34
    trichloroethylene 1083.51
    n-nonanol 87.6
    cyclohexanol 138.75
    benzyl alcohol 106.47
    2-ethylhexanol 135.06
    isooctanol 106.21
    dipropyl ether 367.05
    1,2-dichlorobenzene 441.63
    ethyl lactate 74.93
    propylene carbonate 277.4
    n-methylformamide 32.58
    2-pentanol 89.7
    n-pentane 72.06
    1-propoxy-2-propanol 153.44
    1-methoxy-2-propyl acetate 365.47
    2-(2-methoxypropoxy) propanol 189.25
    mesitylene 181.57
    ε-caprolactone 582.59
    p-cymene 151.98
    epichlorohydrin 618.32
    1,1,1-trichloroethane 787.31
    2-aminoethanol 5.4
    morpholine-4-carbaldehyde 252.56
    sulfolane 412.61
    2,2,4-trimethylpentane 85.43
    2-methyltetrahydrofuran 601.58
    n-hexyl acetate 374.39
    isooctane 41.37
    2-(2-butoxyethoxy)ethanol 216.29
    sec-butyl acetate 383.9
    tert-butyl acetate 469.83
    decalin 135.4
    glycerin 6.01
    diglyme 545.82
    acrylic acid 44.79
    isopropyl myristate 156.41
    n-butyric acid 197.97
    acetyl acetate 302.01
    di(2-ethylhexyl) phthalate 106.86
    ethyl propionate 384.78
    nitromethane 141.25
    1,2-diethoxyethane 447.95
    benzonitrile 114.7
    trioctyl phosphate 72.52
    1-bromopropane 555.94
    gamma-valerolactone 485.08
    n-decanol 56.69
    triethyl phosphate 195.1
    4-methyl-2-pentanol 77.08
    propionitrile 62.56
    vinylene carbonate 214.74
    1,1,2-trichlorotrifluoroethane 254.67
    DMS 209.08
    cumene 178.92
    2-octanol 70.5
    2-hexanone 336.48
    octyl acetate 178.21
    limonene 269.39
    1,2-dimethoxyethane 269.47
    ethyl orthosilicate 236.41
    tributyl phosphate 98.52
    diacetone alcohol 211.41
    N,N-dimethylaniline 263.98
    acrylonitrile 52.28
    aniline 150.38
    1,3-propanediol 16.57
    bromobenzene 565.87
    dibromomethane 707.59
    1,1,2,2-tetrachloroethane 962.87
    2-methyl-cyclohexyl acetate 372.44
    tetrabutyl urea 135.79
    diisobutyl methanol 109.92
    2-phenylethanol 123.77
    styrene 262.47
    dioctyl adipate 219.78
    dimethyl sulfate 140.98
    ethyl butyrate 423.49
    methyl lactate 55.78
    butyl lactate 167.77
    diethyl carbonate 218.76
    propanediol butyl ether 64.91
    triethyl orthoformate 357.84
    p-tert-butyltoluene 141.49
    methyl 4-tert-butylbenzoate 313.59
    morpholine 265.65
    tert-butylamine 50.31
    n-dodecanol 40.4
    dimethoxymethane 147.35
    ethylene carbonate 203.26
    cyrene 161.11
    2-ethoxyethyl acetate 450.41
    2-ethylhexyl acetate 403.9
    1,2,4-trichlorobenzene 497.94
    4-methylpyridine 374.2
    dibutyl ether 296.46
    2,6-dimethyl-4-heptanol 109.92
    DEF 375.36
    dimethyl isosorbide 452.98
    tetrachloroethylene 522.85
    eugenol 189.79
    triacetin 344.68
    span 80 169.77
    1,4-butanediol 8.4
    1,1-dichloroethane 533.29
    2-methyl-1-pentanol 139.28
    methyl formate 30.25
    2-methyl-1-butanol 104.83
    n-decane 40.08
    butyronitrile 95.35
    3,7-dimethyl-1-octanol 109.07
    1-chlorooctane 162.57
    1-chlorotetradecane 49.33
    n-nonane 38.5
    undecane 23.03
    tert-butylcyclohexane 107.9
    cyclooctane 94.65
    cyclopentanol 84.46
    tetrahydropyran 480.15
    tert-amyl methyl ether 448.9
    2,5,8-trioxanonane 306.8
    1-hexene 255.63
    2-isopropoxyethanol 106.07
    2,2,2-trifluoroethanol 30.08
    methyl butyrate 399.29

    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