6-(6-Decenoyloxy)decenoic acid, (6E)-

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  • Identifiers

    CAS number
    85392-06-9

    Molecular formula
    C20H36O4

    SMILES
    CCCCC(CCCCC(=O)O)OC(=O)CCCC/C=C/CCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 55.62%
    Fatty 52.52%
    Oily 50.37%
    Green 44.51%
    Waxy 38.39%
    Peach 37.19%
    Lactonic 36.26%
    Dairy 32.05%
    Herbal 32.02%
    Buttery 30.41%

     

    Flavor
    Fatty 45.3%
    Waxy 44.35%
    Fruity 42.73%
    Oily 41.33%
    Green 34.86%
    Cheese 27.04%
    Creamy 25.59%
    Tropical 24.76%
    Soapy 24.28%
    Fat 22.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.56 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point

    • 207.66 ˚C est.

  • Synonyms

    • UNII-QU767BKM8T
    • EINECS 286-864-1
    • 6-(6-Decenoyloxy)decenoic acid
    • 1-Butyl-5-carboxypentyl 6-decenoate
    • QU767BKM8T
    • 2RP14H0G3N
    • FEMA NO. 4442, 6E-DECENOYLOXY-
    • 6-((E)-DEC-6-ENOYL)OXYDECANOIC ACID
    • 6-(6-DECENOYLOXY)DECENOIC ACID, (6E)-
    • 85392-06-9
    • 6E-DECENOIC ACID, 1-BUTYL-5-CARBOXYPENTYL ESTER
    • (6E)-6-(6-decenoyloxy)decenoic acid
    • Q27255511

  • Applications

    6-(6-Decenoyloxy)decenoic acid, (6E)- (CAS 85392-06-9) is an unsaturated fatty acid ester that is commonly evaluated for use in fragrance applications as a fragrance ingredient and intermediate; in perfumery and cosmetics/personal care it may function as a scent component and, in some formulations, as a fixative to extend aroma longevity; it can also serve as a precursor for the synthesis of additional fragrance esters and specialty polyesters used in coatings and inks; in household products it may be used as a fragrance additive in cleaners and detergents; and in polymers/plastics manufacturing it can be used as an intermediate for polyester synthesis with aroma functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.76
    methanol 229.64
    isopropanol 203.79
    water 0.06
    ethyl acetate 143.8
    n-propanol 215.89
    acetone 297.31
    n-butanol 207.1
    acetonitrile 78.87
    DMF 426.42
    toluene 88.5
    isobutanol 171.84
    1,4-dioxane 260.42
    methyl acetate 123.5
    THF 679.55
    2-butanone 247.45
    n-pentanol 201.93
    sec-butanol 211.86
    n-hexane 25.71
    ethylene glycol 14.05
    NMP 517.17
    cyclohexane 47.41
    DMSO 694.66
    n-butyl acetate 169.24
    n-octanol 81.52
    chloroform 376.92
    n-propyl acetate 166.99
    acetic acid 162.36
    dichloromethane 391.17
    cyclohexanone 485.54
    propylene glycol 46.43
    isopropyl acetate 142.06
    DMAc 616.53
    2-ethoxyethanol 252.51
    isopentanol 209.96
    n-heptane 9.12
    ethyl formate 94.09
    1,2-dichloroethane 329.59
    n-hexanol 140.22
    2-methoxyethanol 276.42
    isobutyl acetate 128.05
    tetrachloromethane 57.31
    n-pentyl acetate 181.27
    transcutol 779.87
    n-heptanol 83.71
    ethylbenzene 70.07
    MIBK 202.8
    2-propoxyethanol 245.03
    tert-butanol 244.75
    MTBE 214.41
    2-butoxyethanol 190.73
    propionic acid 128.5
    o-xylene 81.13
    formic acid 45.3
    diethyl ether 172.5
    m-xylene 70.43
    p-xylene 87.91
    chlorobenzene 134.14
    dimethyl carbonate 50.39
    n-octane 6.46
    formamide 72.99
    cyclopentanone 462.64
    2-pentanone 247.05
    anisole 141.53
    cyclopentyl methyl ether 267.3
    gamma-butyrolactone 376.88
    1-methoxy-2-propanol 262.76
    pyridine 239.48
    3-pentanone 165.32
    furfural 291.06
    n-dodecane 5.74
    diethylene glycol 123.3
    diisopropyl ether 56.94
    tert-amyl alcohol 242.7
    acetylacetone 246.48
    n-hexadecane 6.68
    acetophenone 165.26
    methyl propionate 125.87
    isopentyl acetate 183.61
    trichloroethylene 450.72
    n-nonanol 78.4
    cyclohexanol 217.16
    benzyl alcohol 129.98
    2-ethylhexanol 91.53
    isooctanol 77.87
    dipropyl ether 91.93
    1,2-dichlorobenzene 139.49
    ethyl lactate 84.23
    propylene carbonate 202.82
    n-methylformamide 138.48
    2-pentanol 141.52
    n-pentane 17.53
    1-propoxy-2-propanol 185.63
    1-methoxy-2-propyl acetate 182.23
    2-(2-methoxypropoxy) propanol 189.06
    mesitylene 50.06
    ε-caprolactone 367.69
    p-cymene 43.69
    epichlorohydrin 464.78
    1,1,1-trichloroethane 237.69
    2-aminoethanol 71.28
    morpholine-4-carbaldehyde 372.72
    sulfolane 633.36
    2,2,4-trimethylpentane 16.96
    2-methyltetrahydrofuran 429.7
    n-hexyl acetate 213.97
    isooctane 10.31
    2-(2-butoxyethoxy)ethanol 266.87
    sec-butyl acetate 128.89
    tert-butyl acetate 202.05
    decalin 27.52
    glycerin 63.27
    diglyme 459.19
    acrylic acid 86.8
    isopropyl myristate 77.72
    n-butyric acid 224.45
    acetyl acetate 94.58
    di(2-ethylhexyl) phthalate 88.23
    ethyl propionate 126.23
    nitromethane 221.05
    1,2-diethoxyethane 215.78
    benzonitrile 124.59
    trioctyl phosphate 62.02
    1-bromopropane 204.01
    gamma-valerolactone 529.58
    n-decanol 54.54
    triethyl phosphate 75.58
    4-methyl-2-pentanol 98.17
    propionitrile 96.81
    vinylene carbonate 152.03
    1,1,2-trichlorotrifluoroethane 296.92
    DMS 118.16
    cumene 55.81
    2-octanol 65.62
    2-hexanone 216.88
    octyl acetate 100.45
    limonene 72.17
    1,2-dimethoxyethane 403.76
    ethyl orthosilicate 79.53
    tributyl phosphate 77.51
    diacetone alcohol 255.04
    N,N-dimethylaniline 113.81
    acrylonitrile 96.3
    aniline 119.7
    1,3-propanediol 134.22
    bromobenzene 138.98
    dibromomethane 276.81
    1,1,2,2-tetrachloroethane 451.96
    2-methyl-cyclohexyl acetate 143.59
    tetrabutyl urea 118.02
    diisobutyl methanol 58.85
    2-phenylethanol 123.59
    styrene 83.73
    dioctyl adipate 136.64
    dimethyl sulfate 115.16
    ethyl butyrate 123.11
    methyl lactate 82.81
    butyl lactate 150.12
    diethyl carbonate 75.69
    propanediol butyl ether 179.68
    triethyl orthoformate 102.16
    p-tert-butyltoluene 40.64
    methyl 4-tert-butylbenzoate 175.11
    morpholine 410.25
    tert-butylamine 140.39
    n-dodecanol 39.32
    dimethoxymethane 235.72
    ethylene carbonate 139.6
    cyrene 190.5
    2-ethoxyethyl acetate 216.0
    2-ethylhexyl acetate 145.02
    1,2,4-trichlorobenzene 162.19
    4-methylpyridine 256.17
    dibutyl ether 115.52
    2,6-dimethyl-4-heptanol 58.85
    DEF 264.82
    dimethyl isosorbide 307.73
    tetrachloroethylene 271.62
    eugenol 155.52
    triacetin 192.32
    span 80 180.12
    1,4-butanediol 66.26
    1,1-dichloroethane 259.04
    2-methyl-1-pentanol 197.95
    methyl formate 80.36
    2-methyl-1-butanol 195.05
    n-decane 10.78
    butyronitrile 133.83
    3,7-dimethyl-1-octanol 89.39
    1-chlorooctane 58.74
    1-chlorotetradecane 21.47
    n-nonane 9.78
    undecane 7.53
    tert-butylcyclohexane 20.95
    cyclooctane 11.27
    cyclopentanol 223.86
    tetrahydropyran 401.41
    tert-amyl methyl ether 178.55
    2,5,8-trioxanonane 304.21
    1-hexene 101.9
    2-isopropoxyethanol 195.13
    2,2,2-trifluoroethanol 50.16
    methyl butyrate 189.96

    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