3,7-Dimethyl-6-octenyl phenoxyacetate

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  • Identifiers

    CAS number
    93805-22-2

    Molecular formula
    C18H26O3

    SMILES
    CC(CCC=C(C)C)CCOC(=O)COC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 89.25%
    Rose 74.37%
    Sweet 63.25%
    Honey 47.39%
    Lily 46.55%
    Waxy 44.87%
    Fresh 41.76%
    Balsamic 41.34%
    Green 39.91%
    Muguet 37.86%

     

    Flavor
    Floral 51.74%
    Green 50.14%
    Waxy 49.16%
    Rose 48.13%
    Fruity 44.47%
    Sweet 43.82%
    Balsam 35.4%
    Oily 32.67%
    Bitter 31.98%
    Honey 30.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.56 (neutral)

    Molecular weight
    290.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 150.82 ˚C est.

  • Synonyms

    • 3,7-Dimethyl-6-octenyl phenoxyacetate
    • 93805-22-2
    • EINECS 298-505-6
    • SCHEMBL28158171
    • DTXSID50917795
    • OCXSQRQMLDBSSJ-UHFFFAOYSA-N
    • 3,7-Dimethyloct-6-en-1-yl phenoxyacetate
    • NS00064493
    • 93805-22-2

  • Applications

    3,7-Dimethyl-6-octenyl phenoxyacetate (CAS 93805-22-2) is primarily used as a fragrance ingredient and potential fixative in perfumery, cosmetics, and personal care, helping to impart a distinctive scent and extend fragrance longevity in products such as perfumes, creams, lotions, and shampoos. It may also serve as an odorant additive in household products and cleaning agents, including air fresheners and detergents. In coatings and printing inks, it can be used to introduce or stabilize a fragrance profile. In polymer and plastics formulations, it may be employed as a fragrance additive or processing aid to enhance odor characteristics. It can also be evaluated as an intermediate in fragrance synthesis, depending on formulation and regulatory requirements. All use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1246.72
    methanol 1353.01
    isopropanol 617.91
    water 0.19
    ethyl acetate 1543.46
    n-propanol 773.29
    acetone 995.04
    n-butanol 676.9
    acetonitrile 722.21
    DMF 376.9
    toluene 435.19
    isobutanol 415.12
    1,4-dioxane 1267.1
    methyl acetate 825.77
    THF 1477.69
    2-butanone 916.0
    n-pentanol 458.82
    sec-butanol 579.48
    n-hexane 21.64
    ethylene glycol 52.43
    NMP 338.03
    cyclohexane 90.37
    DMSO 1184.68
    n-butyl acetate 482.54
    n-octanol 100.23
    chloroform 2279.07
    n-propyl acetate 581.67
    acetic acid 635.71
    dichloromethane 2692.84
    cyclohexanone 924.86
    propylene glycol 160.05
    isopropyl acetate 572.83
    DMAc 626.65
    2-ethoxyethanol 817.08
    isopentanol 483.29
    n-heptane 15.11
    ethyl formate 455.66
    1,2-dichloroethane 1734.29
    n-hexanol 329.85
    2-methoxyethanol 1159.63
    isobutyl acetate 272.7
    tetrachloromethane 177.33
    n-pentyl acetate 252.33
    transcutol 2365.24
    n-heptanol 118.9
    ethylbenzene 180.3
    MIBK 361.24
    2-propoxyethanol 601.11
    tert-butanol 592.53
    MTBE 567.35
    2-butoxyethanol 309.52
    propionic acid 421.35
    o-xylene 213.73
    formic acid 154.68
    diethyl ether 958.98
    m-xylene 232.54
    p-xylene 218.82
    chlorobenzene 506.49
    dimethyl carbonate 182.22
    n-octane 6.71
    formamide 374.95
    cyclopentanone 773.36
    2-pentanone 812.63
    anisole 397.22
    cyclopentyl methyl ether 621.43
    gamma-butyrolactone 809.12
    1-methoxy-2-propanol 778.77
    pyridine 988.64
    3-pentanone 535.96
    furfural 683.25
    n-dodecane 5.84
    diethylene glycol 342.9
    diisopropyl ether 139.2
    tert-amyl alcohol 525.12
    acetylacetone 775.32
    n-hexadecane 6.89
    acetophenone 378.54
    methyl propionate 677.22
    isopentyl acetate 397.09
    trichloroethylene 2446.21
    n-nonanol 95.19
    cyclohexanol 516.39
    benzyl alcohol 355.96
    2-ethylhexanol 175.37
    isooctanol 105.08
    dipropyl ether 228.56
    1,2-dichlorobenzene 410.31
    ethyl lactate 194.31
    propylene carbonate 463.46
    n-methylformamide 325.78
    2-pentanol 425.59
    n-pentane 20.84
    1-propoxy-2-propanol 408.36
    1-methoxy-2-propyl acetate 484.11
    2-(2-methoxypropoxy) propanol 327.39
    mesitylene 119.22
    ε-caprolactone 775.52
    p-cymene 89.06
    epichlorohydrin 1698.82
    1,1,1-trichloroethane 918.75
    2-aminoethanol 230.06
    morpholine-4-carbaldehyde 571.75
    sulfolane 733.51
    2,2,4-trimethylpentane 19.61
    2-methyltetrahydrofuran 1132.91
    n-hexyl acetate 300.42
    isooctane 12.53
    2-(2-butoxyethoxy)ethanol 502.72
    sec-butyl acetate 358.94
    tert-butyl acetate 456.92
    decalin 33.11
    glycerin 170.76
    diglyme 1029.27
    acrylic acid 264.47
    isopropyl myristate 104.69
    n-butyric acid 821.65
    acetyl acetate 577.51
    di(2-ethylhexyl) phthalate 109.35
    ethyl propionate 463.27
    nitromethane 1212.76
    1,2-diethoxyethane 689.19
    benzonitrile 371.17
    trioctyl phosphate 70.06
    1-bromopropane 844.2
    gamma-valerolactone 998.96
    n-decanol 66.99
    triethyl phosphate 139.31
    4-methyl-2-pentanol 172.85
    propionitrile 472.44
    vinylene carbonate 407.57
    1,1,2-trichlorotrifluoroethane 742.61
    DMS 290.55
    cumene 102.65
    2-octanol 76.37
    2-hexanone 460.37
    octyl acetate 132.76
    limonene 139.37
    1,2-dimethoxyethane 949.78
    ethyl orthosilicate 141.53
    tributyl phosphate 100.86
    diacetone alcohol 454.4
    N,N-dimethylaniline 205.41
    acrylonitrile 478.85
    aniline 498.28
    1,3-propanediol 476.3
    bromobenzene 555.49
    dibromomethane 1594.19
    1,1,2,2-tetrachloroethane 1877.82
    2-methyl-cyclohexyl acetate 244.97
    tetrabutyl urea 120.74
    diisobutyl methanol 93.87
    2-phenylethanol 291.57
    styrene 238.93
    dioctyl adipate 186.71
    dimethyl sulfate 229.91
    ethyl butyrate 387.18
    methyl lactate 225.49
    butyl lactate 196.0
    diethyl carbonate 238.37
    propanediol butyl ether 256.41
    triethyl orthoformate 227.69
    p-tert-butyltoluene 81.7
    methyl 4-tert-butylbenzoate 230.43
    morpholine 1735.91
    tert-butylamine 292.41
    n-dodecanol 49.57
    dimethoxymethane 643.92
    ethylene carbonate 387.19
    cyrene 245.63
    2-ethoxyethyl acetate 446.8
    2-ethylhexyl acetate 295.62
    1,2,4-trichlorobenzene 489.74
    4-methylpyridine 821.09
    dibutyl ether 182.01
    2,6-dimethyl-4-heptanol 93.87
    DEF 628.66
    dimethyl isosorbide 508.54
    tetrachloroethylene 999.03
    eugenol 240.64
    triacetin 349.77
    span 80 250.16
    1,4-butanediol 169.06
    1,1-dichloroethane 1311.54
    2-methyl-1-pentanol 379.17
    methyl formate 236.13
    2-methyl-1-butanol 456.6
    n-decane 10.81
    butyronitrile 555.08
    3,7-dimethyl-1-octanol 127.53
    1-chlorooctane 77.44
    1-chlorotetradecane 26.3
    n-nonane 9.86
    undecane 7.42
    tert-butylcyclohexane 25.53
    cyclooctane 18.56
    cyclopentanol 360.15
    tetrahydropyran 1493.09
    tert-amyl methyl ether 375.61
    2,5,8-trioxanonane 644.69
    1-hexene 152.86
    2-isopropoxyethanol 458.95
    2,2,2-trifluoroethanol 139.8
    methyl butyrate 604.73

    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