Benzene, (2-(1-((3,7-dimethyl-6-octen-1-yl)oxy)-2-phenylethoxy)ethyl)-

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  • Identifiers

    CAS number
    72894-09-8

    Molecular formula
    C26H36O2

    SMILES
    CC(CCC=C(C)C)CCOC(CC1=CC=CC=C1)OCCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 87.27%
    Green 78.71%
    Rose 71.26%
    Hyacinth 48.68%
    Sweet 46.78%
    Fresh 45.96%
    Lily 43.61%
    Leafy 43.38%
    Muguet 43.09%
    Honey 42.94%

     

    Flavor
    Green 77.25%
    Floral 61.69%
    Waxy 45.77%
    Rose 45.24%
    Bitter 36.42%
    Sweet 33.75%
    Fresh 31.53%
    Tropical 30.39%
    Earthy 29.94%
    Oily 28.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    7.2 (neutral)

    Molecular weight
    380.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    454°C

    Flash point

    • 173.93 ˚C est.

  • Synonyms

    • 72894-09-8
    • Phenylacetaldehyde, citronellyl phenethyl acetal
    • DTXSID10888230
    • (2-(1-((3,7-Dimethyl-6-octenyl)oxy)-2-phenylethoxy)ethyl)benzene
    • Benzene, (2-(1-((3,7-dimethyl-6-octenyl)oxy)-2-phenylethoxy)ethyl)-
    • Benzene, (2-(1-((3,7-dimethyl-6-octen-1-yl)oxy)-2-phenylethoxy)ethyl)-
    • Benzene, [2-[1-[(3,7-dimethyl-6-octen-1-yl)oxy]-2-phenylethoxy]ethyl]-
    • Benzene, [2-[1-[(3,7-dimethyl-6-octenyl)oxy]-2-phenylethoxy]ethyl]-
    • [2-[1-[(3,7-Dimethyl-6-octenyl)oxy]-2-phenylethoxy]ethyl]benzene
    • IGYKWQDLCHIXTR-UHFFFAOYSA-N
    • DTXCID601027510

  • Applications

    Benzene, (2-(1-((3,7-dimethyl-6-octen-1-yl)oxy)-2-phenylethoxy)ethyl)- (CAS 72894-09-8) is a lipophilic aromatic ether commonly used as a fragrance ingredient and odorant, with a long isoprenoid-like side chain that can contribute to persistence in scent formulations. In perfumery and cosmetics, it is used as a fragrance component and/or fixative to help modulate volatility and prolong fragrance notes. It can be included in household products such as air fresheners and scented cleaners to impart fragrance, and in coatings/inks formulations to provide odor characteristics. It may also be used as an intermediate in fragrance synthesis and formulation development in industrial/manufacturing contexts. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.33
    methanol 29.91
    isopropanol 31.98
    water 0.04
    ethyl acetate 304.68
    n-propanol 59.06
    acetone 107.77
    n-butanol 85.0
    acetonitrile 59.11
    DMF 34.46
    toluene 255.87
    isobutanol 49.71
    1,4-dioxane 352.15
    methyl acetate 134.84
    THF 526.6
    2-butanone 180.46
    n-pentanol 89.25
    sec-butanol 63.48
    n-hexane 46.39
    ethylene glycol 1.58
    NMP 72.91
    cyclohexane 133.28
    DMSO 117.8
    n-butyl acetate 243.0
    n-octanol 50.12
    chloroform 1387.83
    n-propyl acetate 220.34
    acetic acid 71.34
    dichloromethane 1488.04
    cyclohexanone 327.23
    propylene glycol 6.16
    isopropyl acetate 207.42
    DMAc 147.18
    2-ethoxyethanol 114.74
    isopentanol 89.94
    n-heptane 50.21
    ethyl formate 91.37
    1,2-dichloroethane 741.83
    n-hexanol 88.25
    2-methoxyethanol 75.18
    isobutyl acetate 158.38
    tetrachloromethane 143.59
    n-pentyl acetate 201.96
    transcutol 676.74
    n-heptanol 60.47
    ethylbenzene 142.42
    MIBK 158.14
    2-propoxyethanol 131.5
    tert-butanol 53.99
    MTBE 156.77
    2-butoxyethanol 124.42
    propionic acid 57.34
    o-xylene 133.65
    formic acid 9.36
    diethyl ether 287.0
    m-xylene 141.92
    p-xylene 154.93
    chlorobenzene 299.27
    dimethyl carbonate 50.37
    n-octane 16.12
    formamide 16.29
    cyclopentanone 211.96
    2-pentanone 194.88
    anisole 219.54
    cyclopentyl methyl ether 277.32
    gamma-butyrolactone 217.38
    1-methoxy-2-propanol 75.09
    pyridine 314.68
    3-pentanone 199.63
    furfural 187.53
    n-dodecane 9.54
    diethylene glycol 37.21
    diisopropyl ether 87.26
    tert-amyl alcohol 79.8
    acetylacetone 220.64
    n-hexadecane 11.47
    acetophenone 192.85
    methyl propionate 151.35
    isopentyl acetate 241.4
    trichloroethylene 1065.67
    n-nonanol 59.48
    cyclohexanol 117.21
    benzyl alcohol 106.33
    2-ethylhexanol 95.27
    isooctanol 62.38
    dipropyl ether 257.43
    1,2-dichlorobenzene 278.06
    ethyl lactate 59.45
    propylene carbonate 163.26
    n-methylformamide 22.5
    2-pentanol 65.7
    n-pentane 29.49
    1-propoxy-2-propanol 132.38
    1-methoxy-2-propyl acetate 231.77
    2-(2-methoxypropoxy) propanol 149.31
    mesitylene 86.75
    ε-caprolactone 323.54
    p-cymene 86.51
    epichlorohydrin 528.41
    1,1,1-trichloroethane 563.69
    2-aminoethanol 9.06
    morpholine-4-carbaldehyde 130.33
    sulfolane 198.04
    2,2,4-trimethylpentane 22.82
    2-methyltetrahydrofuran 386.38
    n-hexyl acetate 197.91
    isooctane 12.66
    2-(2-butoxyethoxy)ethanol 186.18
    sec-butyl acetate 184.3
    tert-butyl acetate 220.53
    decalin 54.8
    glycerin 9.53
    diglyme 487.81
    acrylic acid 37.12
    isopropyl myristate 92.26
    n-butyric acid 171.76
    acetyl acetate 198.46
    di(2-ethylhexyl) phthalate 73.48
    ethyl propionate 205.77
    nitromethane 118.37
    1,2-diethoxyethane 391.5
    benzonitrile 120.24
    trioctyl phosphate 44.62
    1-bromopropane 517.78
    gamma-valerolactone 294.23
    n-decanol 39.88
    triethyl phosphate 121.34
    4-methyl-2-pentanol 50.75
    propionitrile 79.75
    vinylene carbonate 149.78
    1,1,2-trichlorotrifluoroethane 205.38
    DMS 120.19
    cumene 96.39
    2-octanol 40.16
    2-hexanone 200.16
    octyl acetate 100.57
    limonene 129.95
    1,2-dimethoxyethane 296.06
    ethyl orthosilicate 140.53
    tributyl phosphate 63.92
    diacetone alcohol 134.86
    N,N-dimethylaniline 141.64
    acrylonitrile 62.5
    aniline 136.67
    1,3-propanediol 27.78
    bromobenzene 395.93
    dibromomethane 937.44
    1,1,2,2-tetrachloroethane 881.72
    2-methyl-cyclohexyl acetate 204.67
    tetrabutyl urea 83.9
    diisobutyl methanol 69.24
    2-phenylethanol 112.92
    styrene 163.31
    dioctyl adipate 152.48
    dimethyl sulfate 64.9
    ethyl butyrate 272.1
    methyl lactate 38.6
    butyl lactate 104.12
    diethyl carbonate 163.28
    propanediol butyl ether 60.84
    triethyl orthoformate 222.53
    p-tert-butyltoluene 74.28
    methyl 4-tert-butylbenzoate 171.7
    morpholine 306.56
    tert-butylamine 41.62
    n-dodecanol 30.64
    dimethoxymethane 130.55
    ethylene carbonate 146.14
    cyrene 110.55
    2-ethoxyethyl acetate 260.61
    2-ethylhexyl acetate 208.2
    1,2,4-trichlorobenzene 289.84
    4-methylpyridine 257.78
    dibutyl ether 198.13
    2,6-dimethyl-4-heptanol 69.24
    DEF 164.72
    dimethyl isosorbide 312.0
    tetrachloroethylene 519.95
    eugenol 128.65
    triacetin 202.29
    span 80 122.8
    1,4-butanediol 12.98
    1,1-dichloroethane 514.64
    2-methyl-1-pentanol 111.68
    methyl formate 23.95
    2-methyl-1-butanol 86.8
    n-decane 20.77
    butyronitrile 116.38
    3,7-dimethyl-1-octanol 66.77
    1-chlorooctane 86.71
    1-chlorotetradecane 30.23
    n-nonane 19.32
    undecane 12.89
    tert-butylcyclohexane 38.27
    cyclooctane 38.83
    cyclopentanol 66.47
    tetrahydropyran 545.14
    tert-amyl methyl ether 158.29
    2,5,8-trioxanonane 298.04
    1-hexene 127.65
    2-isopropoxyethanol 104.18
    2,2,2-trifluoroethanol 24.21
    methyl butyrate 234.81

    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