CID 6850776

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  • Identifiers

    CAS number
    84696-15-1

    Molecular formula
    C35H52O6

    SMILES
    CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 56.92%
    Sweet 41.97%
    Fruity 33.91%
    Warm 33.13%
    Balsamic 32.85%
    Floral 32.18%
    Vanilla 31.33%
    Herbal 30.78%
    Woody 27.81%
    Creamy 26.63%

     

    Flavor
    Herbal 60.04%
    Spicy 45.47%
    Woody 41.65%
    Warm 30.7%
    Floral 30.4%
    Spice 26.78%
    Oily 26.05%
    Fresh 24.09%
    Sweet 24.04%
    Jasmin 22.72%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.35 (weak base)

    Molecular weight
    568.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 164.35 ˚C est.

  • Synonyms

    • 84696-15-1
    • (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one
    • 84696-15-1

  • Applications

    CID 6850776, CAS 84696-15-1 is an industrial chemical used as a solvent and an organic synthesis intermediate; typical applications include as a reaction intermediate in organic synthesis, as a solvent or processing aid in coatings, paints, and inks, as a formulation ingredient in adhesives and polymer systems, as a component in cleaning products, and as a candidate additive in electronics manufacturing, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1776.89
    methanol 2273.03
    isopropanol 857.07
    water 0.07
    ethyl acetate 1940.12
    n-propanol 961.62
    acetone 2221.83
    n-butanol 608.24
    acetonitrile 1142.65
    DMF 666.95
    toluene 215.91
    isobutanol 412.87
    1,4-dioxane 1396.52
    methyl acetate 1190.84
    THF 1693.72
    2-butanone 1108.88
    n-pentanol 299.53
    sec-butanol 530.25
    n-hexane 3.9
    ethylene glycol 93.2
    NMP 232.42
    cyclohexane 26.66
    DMSO 2255.26
    n-butyl acetate 367.03
    n-octanol 66.87
    chloroform 1133.56
    n-propyl acetate 493.68
    acetic acid 779.11
    dichloromethane 1491.15
    cyclohexanone 857.36
    propylene glycol 226.56
    isopropyl acetate 618.33
    DMAc 600.35
    2-ethoxyethanol 706.23
    isopentanol 353.73
    n-heptane 4.15
    ethyl formate 456.13
    1,2-dichloroethane 1217.16
    n-hexanol 192.02
    2-methoxyethanol 1397.3
    isobutyl acetate 247.36
    tetrachloromethane 89.25
    n-pentyl acetate 191.27
    transcutol 1626.22
    n-heptanol 74.39
    ethylbenzene 80.01
    MIBK 326.59
    2-propoxyethanol 484.1
    tert-butanol 925.9
    MTBE 713.48
    2-butoxyethanol 218.61
    propionic acid 476.44
    o-xylene 94.87
    formic acid 170.65
    diethyl ether 926.37
    m-xylene 106.93
    p-xylene 92.94
    chlorobenzene 255.78
    dimethyl carbonate 228.07
    n-octane 4.39
    formamide 428.95
    cyclopentanone 913.66
    2-pentanone 889.65
    anisole 247.96
    cyclopentyl methyl ether 421.03
    gamma-butyrolactone 901.56
    1-methoxy-2-propanol 798.74
    pyridine 666.53
    3-pentanone 458.66
    furfural 539.02
    n-dodecane 5.53
    diethylene glycol 383.03
    diisopropyl ether 99.53
    tert-amyl alcohol 514.29
    acetylacetone 902.3
    n-hexadecane 6.27
    acetophenone 231.62
    methyl propionate 765.42
    isopentyl acetate 299.56
    trichloroethylene 1453.02
    n-nonanol 65.64
    cyclohexanol 374.91
    benzyl alcohol 224.16
    2-ethylhexanol 86.03
    isooctanol 68.95
    dipropyl ether 112.66
    1,2-dichlorobenzene 209.32
    ethyl lactate 146.93
    propylene carbonate 401.66
    n-methylformamide 472.22
    2-pentanol 302.03
    n-pentane 4.06
    1-propoxy-2-propanol 287.4
    1-methoxy-2-propyl acetate 366.61
    2-(2-methoxypropoxy) propanol 208.41
    mesitylene 61.24
    ε-caprolactone 620.15
    p-cymene 45.34
    epichlorohydrin 1348.4
    1,1,1-trichloroethane 672.26
    2-aminoethanol 302.9
    morpholine-4-carbaldehyde 473.3
    sulfolane 751.72
    2,2,4-trimethylpentane 8.99
    2-methyltetrahydrofuran 791.9
    n-hexyl acetate 207.46
    isooctane 7.53
    2-(2-butoxyethoxy)ethanol 332.73
    sec-butyl acetate 275.48
    tert-butyl acetate 516.29
    decalin 14.08
    glycerin 237.92
    diglyme 704.91
    acrylic acid 277.08
    isopropyl myristate 77.77
    n-butyric acid 805.11
    acetyl acetate 610.7
    di(2-ethylhexyl) phthalate 76.62
    ethyl propionate 365.87
    nitromethane 1709.09
    1,2-diethoxyethane 479.34
    benzonitrile 239.6
    trioctyl phosphate 54.44
    1-bromopropane 464.47
    gamma-valerolactone 1008.02
    n-decanol 51.19
    triethyl phosphate 94.41
    4-methyl-2-pentanol 119.23
    propionitrile 547.39
    vinylene carbonate 339.37
    1,1,2-trichlorotrifluoroethane 531.16
    DMS 226.07
    cumene 49.75
    2-octanol 52.84
    2-hexanone 344.84
    octyl acetate 99.3
    limonene 64.73
    1,2-dimethoxyethane 868.49
    ethyl orthosilicate 89.85
    tributyl phosphate 73.73
    diacetone alcohol 479.54
    N,N-dimethylaniline 115.08
    acrylonitrile 610.18
    aniline 285.73
    1,3-propanediol 589.8
    bromobenzene 250.87
    dibromomethane 895.46
    1,1,2,2-tetrachloroethane 1056.04
    2-methyl-cyclohexyl acetate 144.06
    tetrabutyl urea 91.78
    diisobutyl methanol 65.1
    2-phenylethanol 185.84
    styrene 114.87
    dioctyl adipate 129.96
    dimethyl sulfate 261.7
    ethyl butyrate 236.15
    methyl lactate 209.02
    butyl lactate 141.2
    diethyl carbonate 164.47
    propanediol butyl ether 192.37
    triethyl orthoformate 136.77
    p-tert-butyltoluene 44.69
    methyl 4-tert-butylbenzoate 173.01
    morpholine 1577.31
    tert-butylamine 313.35
    n-dodecanol 40.43
    dimethoxymethane 900.04
    ethylene carbonate 329.99
    cyrene 179.34
    2-ethoxyethyl acetate 350.17
    2-ethylhexyl acetate 197.4
    1,2,4-trichlorobenzene 232.2
    4-methylpyridine 471.57
    dibutyl ether 113.24
    2,6-dimethyl-4-heptanol 65.1
    DEF 482.78
    dimethyl isosorbide 329.34
    tetrachloroethylene 565.9
    eugenol 176.69
    triacetin 238.18
    span 80 162.44
    1,4-butanediol 176.35
    1,1-dichloroethane 1049.3
    2-methyl-1-pentanol 216.85
    methyl formate 376.44
    2-methyl-1-butanol 297.02
    n-decane 8.15
    butyronitrile 517.59
    3,7-dimethyl-1-octanol 83.61
    1-chlorooctane 49.03
    1-chlorotetradecane 21.13
    n-nonane 6.87
    undecane 6.51
    tert-butylcyclohexane 12.9
    cyclooctane 5.41
    cyclopentanol 305.87
    tetrahydropyran 1322.2
    tert-amyl methyl ether 311.33
    2,5,8-trioxanonane 439.86
    1-hexene 45.65
    2-isopropoxyethanol 393.69
    2,2,2-trifluoroethanol 151.54
    methyl butyrate 480.0

    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