6-(5-Decenoyloxy)decenoic acid, (5E)-

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  • Identifiers

    CAS number
    85392-05-8

    Molecular formula
    C20H36O4

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

  • Odor profile

    Fragrance
    Fruity 56.59%
    Fatty 52.9%
    Oily 49.71%
    Green 43.22%
    Waxy 37.01%
    Peach 36.97%
    Lactonic 35.85%
    Dairy 31.73%
    Herbal 30.8%
    Buttery 30.67%

     

    Flavor
    Fatty 44.2%
    Fruity 43.78%
    Waxy 42.56%
    Oily 40.62%
    Green 34.45%
    Cheese 26.86%
    Tropical 25.66%
    Creamy 24.65%
    Soapy 23.16%
    Bay oil 22.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.59 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 207.35 ˚C est.

  • Synonyms

    • UNII-LSX05I9UYY
    • EINECS 286-863-6
    • 1-Butyl-5-carboxypentyl 5-decenoate
    • 6-(5-Decenoyloxy)decenoic acid
    • LSX05I9UYY
    • 07E2BJ3Q3D
    • FEMA NO. 4442, 5E-DECENOYLOXY-
    • 85392-05-8
    • 6-(5-DECENOYLOXY)DECENOIC ACID, (5E)-
    • (+/-)-6-(5-DECENOYLOXY)DECENOIC ACID, (5E)-
    • OKPRNPZBHHJXBQ-CMDGGOBGSA-N
    • (5E)-6-(5-decenoyloxy)decenoic acid
    • Q27236301

  • Applications

    6-(5-Decenoyloxy)decenoic acid, (5E)- (CAS 85392-05-8) is typically used as an intermediate in the synthesis of specialty esters and fragrance-related chemicals; in perfumery it may function as a fragrance ingredient or fixative given its long hydrocarbon chain and double bond. It is also evaluated for use in cosmetics and personal care as an emollient or conditioning agent; in polymer and plastics processing it can serve as a plasticizer or processing aid for certain polyester and polyurethane systems; in coatings and inks it may act as a surfactant-like additive to improve wetting, dispersion, and film formation; and in household cleaning products it can function as a solvent carrier or fragrance carrier, contributing to formulation performance while requiring compliance with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.71
    methanol 225.52
    isopropanol 203.93
    water 0.06
    ethyl acetate 159.4
    n-propanol 217.27
    acetone 309.84
    n-butanol 209.07
    acetonitrile 84.06
    DMF 465.53
    toluene 97.67
    isobutanol 177.13
    1,4-dioxane 264.3
    methyl acetate 136.11
    THF 698.43
    2-butanone 267.72
    n-pentanol 201.64
    sec-butanol 215.82
    n-hexane 26.79
    ethylene glycol 13.76
    NMP 583.2
    cyclohexane 49.49
    DMSO 734.05
    n-butyl acetate 183.89
    n-octanol 82.22
    chloroform 417.93
    n-propyl acetate 185.2
    acetic acid 167.46
    dichloromethane 441.77
    cyclohexanone 530.69
    propylene glycol 47.27
    isopropyl acetate 156.95
    DMAc 681.81
    2-ethoxyethanol 259.52
    isopentanol 215.2
    n-heptane 9.34
    ethyl formate 99.45
    1,2-dichloroethane 366.53
    n-hexanol 140.75
    2-methoxyethanol 281.29
    isobutyl acetate 139.66
    tetrachloromethane 63.88
    n-pentyl acetate 197.6
    transcutol 845.16
    n-heptanol 84.47
    ethylbenzene 75.63
    MIBK 217.73
    2-propoxyethanol 252.98
    tert-butanol 252.02
    MTBE 233.63
    2-butoxyethanol 196.51
    propionic acid 138.17
    o-xylene 90.49
    formic acid 47.03
    diethyl ether 182.34
    m-xylene 77.23
    p-xylene 95.1
    chlorobenzene 147.77
    dimethyl carbonate 56.13
    n-octane 6.45
    formamide 78.69
    cyclopentanone 506.12
    2-pentanone 266.53
    anisole 152.99
    cyclopentyl methyl ether 292.54
    gamma-butyrolactone 417.68
    1-methoxy-2-propanol 271.28
    pyridine 255.8
    3-pentanone 183.45
    furfural 318.67
    n-dodecane 5.57
    diethylene glycol 125.23
    diisopropyl ether 60.96
    tert-amyl alcohol 258.66
    acetylacetone 269.1
    n-hexadecane 6.53
    acetophenone 180.54
    methyl propionate 140.15
    isopentyl acetate 199.95
    trichloroethylene 512.17
    n-nonanol 79.54
    cyclohexanol 225.78
    benzyl alcohol 137.34
    2-ethylhexanol 94.73
    isooctanol 79.94
    dipropyl ether 97.75
    1,2-dichlorobenzene 155.69
    ethyl lactate 90.36
    propylene carbonate 226.22
    n-methylformamide 148.72
    2-pentanol 146.0
    n-pentane 17.95
    1-propoxy-2-propanol 193.84
    1-methoxy-2-propyl acetate 198.28
    2-(2-methoxypropoxy) propanol 198.11
    mesitylene 54.33
    ε-caprolactone 404.89
    p-cymene 45.95
    epichlorohydrin 506.25
    1,1,1-trichloroethane 266.2
    2-aminoethanol 71.11
    morpholine-4-carbaldehyde 406.12
    sulfolane 717.75
    2,2,4-trimethylpentane 18.21
    2-methyltetrahydrofuran 457.14
    n-hexyl acetate 229.63
    isooctane 10.74
    2-(2-butoxyethoxy)ethanol 279.1
    sec-butyl acetate 142.42
    tert-butyl acetate 220.21
    decalin 29.38
    glycerin 65.03
    diglyme 484.39
    acrylic acid 93.36
    isopropyl myristate 81.47
    n-butyric acid 241.39
    acetyl acetate 104.11
    di(2-ethylhexyl) phthalate 91.75
    ethyl propionate 141.08
    nitromethane 241.07
    1,2-diethoxyethane 230.39
    benzonitrile 134.83
    trioctyl phosphate 64.22
    1-bromopropane 221.4
    gamma-valerolactone 572.35
    n-decanol 54.77
    triethyl phosphate 82.36
    4-methyl-2-pentanol 101.35
    propionitrile 102.36
    vinylene carbonate 169.41
    1,1,2-trichlorotrifluoroethane 331.96
    DMS 130.43
    cumene 59.82
    2-octanol 67.09
    2-hexanone 232.97
    octyl acetate 105.38
    limonene 77.76
    1,2-dimethoxyethane 417.96
    ethyl orthosilicate 86.54
    tributyl phosphate 82.36
    diacetone alcohol 273.37
    N,N-dimethylaniline 123.64
    acrylonitrile 103.1
    aniline 129.62
    1,3-propanediol 134.11
    bromobenzene 154.17
    dibromomethane 307.08
    1,1,2,2-tetrachloroethane 510.71
    2-methyl-cyclohexyl acetate 155.85
    tetrabutyl urea 124.28
    diisobutyl methanol 61.04
    2-phenylethanol 129.14
    styrene 91.0
    dioctyl adipate 144.87
    dimethyl sulfate 132.97
    ethyl butyrate 133.94
    methyl lactate 90.09
    butyl lactate 161.37
    diethyl carbonate 82.7
    propanediol butyl ether 187.26
    triethyl orthoformate 111.23
    p-tert-butyltoluene 43.01
    methyl 4-tert-butylbenzoate 186.91
    morpholine 424.19
    tert-butylamine 145.58
    n-dodecanol 39.0
    dimethoxymethane 246.01
    ethylene carbonate 153.88
    cyrene 202.04
    2-ethoxyethyl acetate 235.52
    2-ethylhexyl acetate 158.25
    1,2,4-trichlorobenzene 183.01
    4-methylpyridine 282.05
    dibutyl ether 122.41
    2,6-dimethyl-4-heptanol 61.04
    DEF 295.89
    dimethyl isosorbide 328.03
    tetrachloroethylene 302.01
    eugenol 163.94
    triacetin 210.33
    span 80 187.63
    1,4-butanediol 66.1
    1,1-dichloroethane 287.36
    2-methyl-1-pentanol 203.73
    methyl formate 85.4
    2-methyl-1-butanol 201.9
    n-decane 10.67
    butyronitrile 138.74
    3,7-dimethyl-1-octanol 92.66
    1-chlorooctane 60.71
    1-chlorotetradecane 21.66
    n-nonane 9.69
    undecane 7.31
    tert-butylcyclohexane 22.16
    cyclooctane 11.82
    cyclopentanol 231.81
    tetrahydropyran 416.0
    tert-amyl methyl ether 196.87
    2,5,8-trioxanonane 318.12
    1-hexene 108.31
    2-isopropoxyethanol 203.32
    2,2,2-trifluoroethanol 54.62
    methyl butyrate 211.0

    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