Benzene, [2,2-bis[(3,7-dimethyl-6-octen-1-yl)oxy]ethyl]-

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  • Identifiers

    CAS number
    67634-04-2

    Molecular formula
    C28H46O2

    SMILES
    CC(CCC=C(C)C)CCOC(CC1=CC=CC=C1)OCCC(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Floral 87.18%
    Green 70.32%
    Rose 64.58%
    Muguet 50.59%
    Lily 50.4%
    Fresh 47.75%
    Sweet 43.69%
    Waxy 42.67%
    Citrus 40.94%
    Fruity 36.55%

     

    Flavor
    Floral 57.32%
    Green 46.18%
    Waxy 42.68%
    Rose 35.68%
    Herbal 30.63%
    Fresh 29.82%
    Mild 29.4%
    Oily 27.99%
    Flower 27.83%
    Bitter 27.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    7.42 (neutral)

    Molecular weight
    414.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    434°C

    Flash point

    • 169.48 ˚C est.

  • Synonyms

    • 67634-04-2
    • (2,2-Bis((3,7-dimethyl-6-octenyl)oxy)ethyl)benzene
    • [2,2-Bis[(3,7-dimethyl-6-octenyl)oxy]ethyl]benzene
    • EINECS 266-807-7
    • DTXSID60867292
    • Benzene, (2,2-bis((3,7-dimethyl-6-octenyl)oxy)ethyl)-
    • Benzene, [2,2-bis[(3,7-dimethyl-6-octenyl)oxy]ethyl]-
    • Benzene, (2,2-bis((3,7-dimethyl-6-octen-1-yl)oxy)ethyl)-
    • Benzene, [2,2-bis[(3,7-dimethyl-6-octen-1-yl)oxy]ethyl]-
    • SCHEMBL6668412
    • DTXCID10815485
    • UZCGMNMYZDLKDA-UHFFFAOYSA-N
    • NS00013131
    • (2,2-bis((3,7-dimethyloct-6-en-1-yl)oxy)ethyl)benzene
    • 266-807-7

  • Applications

    Benzene, [2,2-bis[(3,7-dimethyl-6-octen-1-yl)oxy]ethyl]- (CAS 67634-04-2) is used primarily in perfumery and related fragrance applications as an odorant and a fixative to extend scent release; it can also be employed as a fragrance ingredient or processing solvent in cosmetics and personal care; in the polymers/plastics and coatings/inks sectors, it may act as a plasticizer or rheology modifier to improve softness and film-forming processes; in industrial manufacturing it serves as an intermediate for the synthesis of fragrance-related compounds or terpene-based esters; and in household products it may function as a scent carrier or fragrance component in cleaners and air fresheners, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.12
    methanol 23.56
    isopropanol 43.22
    water 0.05
    ethyl acetate 408.48
    n-propanol 68.23
    acetone 149.18
    n-butanol 104.85
    acetonitrile 44.59
    DMF 55.45
    toluene 309.49
    isobutanol 69.75
    1,4-dioxane 361.98
    methyl acetate 170.52
    THF 640.57
    2-butanone 262.86
    n-pentanol 126.06
    sec-butanol 100.66
    n-hexane 159.03
    ethylene glycol 1.19
    NMP 175.22
    cyclohexane 298.5
    DMSO 100.01
    n-butyl acetate 429.66
    n-octanol 115.05
    chloroform 1193.14
    n-propyl acetate 392.31
    acetic acid 73.0
    dichloromethane 1106.82
    cyclohexanone 565.91
    propylene glycol 5.37
    isopropyl acetate 347.76
    DMAc 223.82
    2-ethoxyethanol 133.13
    isopentanol 131.19
    n-heptane 152.01
    ethyl formate 99.12
    1,2-dichloroethane 582.1
    n-hexanol 132.09
    2-methoxyethanol 77.21
    isobutyl acetate 302.38
    tetrachloromethane 230.01
    n-pentyl acetate 465.83
    transcutol 790.3
    n-heptanol 122.54
    ethylbenzene 250.37
    MIBK 272.82
    2-propoxyethanol 175.07
    tert-butanol 88.47
    MTBE 324.34
    2-butoxyethanol 214.04
    propionic acid 73.28
    o-xylene 217.94
    formic acid 8.84
    diethyl ether 380.88
    m-xylene 222.39
    p-xylene 312.16
    chlorobenzene 343.63
    dimethyl carbonate 55.04
    n-octane 52.63
    formamide 14.62
    cyclopentanone 360.17
    2-pentanone 323.15
    anisole 301.91
    cyclopentyl methyl ether 495.21
    gamma-butyrolactone 319.38
    1-methoxy-2-propanol 94.71
    pyridine 291.93
    3-pentanone 317.02
    furfural 229.08
    n-dodecane 24.04
    diethylene glycol 36.76
    diisopropyl ether 196.79
    tert-amyl alcohol 157.58
    acetylacetone 319.98
    n-hexadecane 29.05
    acetophenone 305.22
    methyl propionate 202.94
    isopentyl acetate 453.25
    trichloroethylene 907.86
    n-nonanol 131.66
    cyclohexanol 192.2
    benzyl alcohol 125.02
    2-ethylhexanol 193.21
    isooctanol 139.5
    dipropyl ether 462.4
    1,2-dichlorobenzene 351.29
    ethyl lactate 84.95
    propylene carbonate 235.42
    n-methylformamide 25.15
    2-pentanol 116.07
    n-pentane 87.15
    1-propoxy-2-propanol 205.26
    1-methoxy-2-propyl acetate 342.87
    2-(2-methoxypropoxy) propanol 234.08
    mesitylene 164.2
    ε-caprolactone 578.94
    p-cymene 179.48
    epichlorohydrin 516.74
    1,1,1-trichloroethane 728.38
    2-aminoethanol 8.13
    morpholine-4-carbaldehyde 208.22
    sulfolane 318.14
    2,2,4-trimethylpentane 76.15
    2-methyltetrahydrofuran 648.1
    n-hexyl acetate 452.41
    isooctane 40.23
    2-(2-butoxyethoxy)ethanol 285.68
    sec-butyl acetate 390.18
    tert-butyl acetate 422.2
    decalin 156.95
    glycerin 8.73
    diglyme 673.96
    acrylic acid 39.56
    isopropyl myristate 195.26
    n-butyric acid 227.83
    acetyl acetate 250.73
    di(2-ethylhexyl) phthalate 137.26
    ethyl propionate 364.38
    nitromethane 116.95
    1,2-diethoxyethane 540.5
    benzonitrile 138.02
    trioctyl phosphate 91.69
    1-bromopropane 564.48
    gamma-valerolactone 445.8
    n-decanol 87.41
    triethyl phosphate 211.98
    4-methyl-2-pentanol 97.92
    propionitrile 76.17
    vinylene carbonate 183.25
    1,1,2-trichlorotrifluoroethane 229.54
    DMS 177.78
    cumene 181.44
    2-octanol 103.68
    2-hexanone 375.16
    octyl acetate 213.95
    limonene 289.94
    1,2-dimethoxyethane 351.11
    ethyl orthosilicate 260.07
    tributyl phosphate 120.22
    diacetone alcohol 223.76
    N,N-dimethylaniline 227.06
    acrylonitrile 51.07
    aniline 146.3
    1,3-propanediol 29.41
    bromobenzene 466.8
    dibromomethane 812.4
    1,1,2,2-tetrachloroethane 830.97
    2-methyl-cyclohexyl acetate 404.86
    tetrabutyl urea 164.26
    diisobutyl methanol 143.45
    2-phenylethanol 157.22
    styrene 244.54
    dioctyl adipate 277.07
    dimethyl sulfate 76.66
    ethyl butyrate 484.03
    methyl lactate 44.88
    butyl lactate 193.84
    diethyl carbonate 255.95
    propanediol butyl ether 97.45
    triethyl orthoformate 400.04
    p-tert-butyltoluene 161.82
    methyl 4-tert-butylbenzoate 299.19
    morpholine 332.59
    tert-butylamine 82.31
    n-dodecanol 65.22
    dimethoxymethane 134.77
    ethylene carbonate 189.62
    cyrene 175.43
    2-ethoxyethyl acetate 452.83
    2-ethylhexyl acetate 433.1
    1,2,4-trichlorobenzene 389.46
    4-methylpyridine 331.73
    dibutyl ether 420.76
    2,6-dimethyl-4-heptanol 143.45
    DEF 281.41
    dimethyl isosorbide 465.09
    tetrachloroethylene 502.13
    eugenol 208.89
    triacetin 344.34
    span 80 217.42
    1,4-butanediol 15.26
    1,1-dichloroethane 503.44
    2-methyl-1-pentanol 180.74
    methyl formate 23.96
    2-methyl-1-butanol 131.74
    n-decane 59.22
    butyronitrile 125.84
    3,7-dimethyl-1-octanol 146.47
    1-chlorooctane 205.08
    1-chlorotetradecane 64.91
    n-nonane 58.01
    undecane 34.11
    tert-butylcyclohexane 116.61
    cyclooctane 122.35
    cyclopentanol 110.34
    tetrahydropyran 689.6
    tert-amyl methyl ether 352.83
    2,5,8-trioxanonane 393.8
    1-hexene 282.67
    2-isopropoxyethanol 150.76
    2,2,2-trifluoroethanol 27.1
    methyl butyrate 417.99

    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