9-Undecenoic acid, 11-[3-(2-pentenyl)oxiranyl]-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    88159-18-6

    Molecular formula
    C18H30O3

    SMILES
    CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 55.84%
    Oily 39.44%
    Waxy 33.15%
    Fruity 31.28%
    Citrus 30.65%
    Green 28.39%
    Meaty 27.93%
    Peach 27.25%
    Milky 25.75%
    Herbal 24.98%

     

    Flavor
    Fatty 37.33%
    Waxy 33.34%
    Oily 25.98%
    Faint 22.44%
    Fresh 21.38%
    Slightly waxy 20.76%
    Fruity 20.56%
    Bay oil 20.47%
    Mild 20.0%
    Delicate 19.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.53 (neutral)

    Molecular weight
    294.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    370°C

    Flash point

    • 199.26 ˚C est.

  • Synonyms

    • 88159-18-6
    • 9-Undecenoic acid, 11-[3-(2-pentenyl)oxiranyl]-
    • SCHEMBL3748072
    • DTXSID60276108
    • 11-[3-(2-Pentenyl)oxiranyl]-9-undecenoic acid
    • 11-[3-(PENT-2-EN-1-YL)OXIRAN-2-YL]UNDEC-9-ENOIC ACID
    • 88159-18-6

  • Applications

    9-Undecenoic acid, 11-[3-(2-pentenyl)oxiranyl]- (CAS 88159-18-6) is primarily used as a functional building block in specialty polymers and coatings, acting as a functional monomer or crosslinking component in polymer systems via its vinyl and epoxide functionalities; it serves as an intermediate for ester derivatives used in coatings and adhesives, enabling tailored resin properties; it can be employed in fragrance and perfumery chemistry as a fragrance intermediate or odorant precursor; it provides a route to cosmetic ingredient esters for personal care formulations; and it is often evaluated as a precursor in the synthesis of specialty plasticizers and surfactant-related intermediates for industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 196.04
    methanol 158.57
    isopropanol 131.02
    water 0.02
    ethyl acetate 130.73
    n-propanol 128.37
    acetone 147.53
    n-butanol 131.07
    acetonitrile 45.4
    DMF 131.04
    toluene 41.41
    isobutanol 87.53
    1,4-dioxane 200.21
    methyl acetate 89.07
    THF 576.4
    2-butanone 155.12
    n-pentanol 110.69
    sec-butanol 113.72
    n-hexane 8.81
    ethylene glycol 12.2
    NMP 150.85
    cyclohexane 18.35
    DMSO 375.28
    n-butyl acetate 117.83
    n-octanol 30.55
    chloroform 281.87
    n-propyl acetate 136.89
    acetic acid 90.56
    dichloromethane 301.45
    cyclohexanone 234.6
    propylene glycol 40.3
    isopropyl acetate 117.71
    DMAc 279.58
    2-ethoxyethanol 223.82
    isopentanol 127.36
    n-heptane 5.31
    ethyl formate 55.54
    1,2-dichloroethane 227.04
    n-hexanol 81.63
    2-methoxyethanol 228.16
    isobutyl acetate 105.53
    tetrachloromethane 31.88
    n-pentyl acetate 82.03
    transcutol 632.04
    n-heptanol 37.07
    ethylbenzene 33.02
    MIBK 125.01
    2-propoxyethanol 196.54
    tert-butanol 152.98
    MTBE 166.42
    2-butoxyethanol 115.78
    propionic acid 64.31
    o-xylene 34.71
    formic acid 26.23
    diethyl ether 143.7
    m-xylene 32.4
    p-xylene 39.34
    chlorobenzene 62.94
    dimethyl carbonate 30.55
    n-octane 2.65
    formamide 47.75
    cyclopentanone 232.81
    2-pentanone 158.33
    anisole 90.36
    cyclopentyl methyl ether 164.51
    gamma-butyrolactone 199.24
    1-methoxy-2-propanol 214.37
    pyridine 128.01
    3-pentanone 97.92
    furfural 153.25
    n-dodecane 2.62
    diethylene glycol 117.83
    diisopropyl ether 43.72
    tert-amyl alcohol 126.53
    acetylacetone 164.23
    n-hexadecane 3.04
    acetophenone 95.61
    methyl propionate 80.68
    isopentyl acetate 125.84
    trichloroethylene 317.76
    n-nonanol 32.43
    cyclohexanol 108.58
    benzyl alcohol 77.38
    2-ethylhexanol 51.14
    isooctanol 36.1
    dipropyl ether 71.46
    1,2-dichlorobenzene 64.72
    ethyl lactate 65.48
    propylene carbonate 111.42
    n-methylformamide 52.5
    2-pentanol 89.68
    n-pentane 6.85
    1-propoxy-2-propanol 145.99
    1-methoxy-2-propyl acetate 151.64
    2-(2-methoxypropoxy) propanol 126.18
    mesitylene 24.48
    ε-caprolactone 199.27
    p-cymene 25.02
    epichlorohydrin 340.01
    1,1,1-trichloroethane 141.37
    2-aminoethanol 48.7
    morpholine-4-carbaldehyde 184.14
    sulfolane 288.96
    2,2,4-trimethylpentane 8.65
    2-methyltetrahydrofuran 305.56
    n-hexyl acetate 96.49
    isooctane 6.21
    2-(2-butoxyethoxy)ethanol 175.37
    sec-butyl acetate 107.19
    tert-butyl acetate 140.1
    decalin 12.08
    glycerin 52.67
    diglyme 324.09
    acrylic acid 42.48
    isopropyl myristate 38.85
    n-butyric acid 137.72
    acetyl acetate 75.0
    di(2-ethylhexyl) phthalate 43.41
    ethyl propionate 99.04
    nitromethane 125.76
    1,2-diethoxyethane 198.93
    benzonitrile 64.91
    trioctyl phosphate 27.18
    1-bromopropane 125.14
    gamma-valerolactone 309.68
    n-decanol 23.8
    triethyl phosphate 53.26
    4-methyl-2-pentanol 62.19
    propionitrile 52.86
    vinylene carbonate 80.32
    1,1,2-trichlorotrifluoroethane 209.13
    DMS 70.77
    cumene 27.25
    2-octanol 24.58
    2-hexanone 137.89
    octyl acetate 46.96
    limonene 38.85
    1,2-dimethoxyethane 309.57
    ethyl orthosilicate 55.61
    tributyl phosphate 37.63
    diacetone alcohol 171.28
    N,N-dimethylaniline 62.09
    acrylonitrile 49.88
    aniline 63.66
    1,3-propanediol 99.74
    bromobenzene 67.33
    dibromomethane 190.48
    1,1,2,2-tetrachloroethane 294.65
    2-methyl-cyclohexyl acetate 93.56
    tetrabutyl urea 52.31
    diisobutyl methanol 37.02
    2-phenylethanol 72.99
    styrene 39.24
    dioctyl adipate 67.77
    dimethyl sulfate 64.27
    ethyl butyrate 94.39
    methyl lactate 59.45
    butyl lactate 71.93
    diethyl carbonate 60.18
    propanediol butyl ether 97.36
    triethyl orthoformate 80.52
    p-tert-butyltoluene 23.87
    methyl 4-tert-butylbenzoate 83.59
    morpholine 309.06
    tert-butylamine 84.05
    n-dodecanol 18.26
    dimethoxymethane 153.1
    ethylene carbonate 77.83
    cyrene 120.12
    2-ethoxyethyl acetate 136.76
    2-ethylhexyl acetate 94.79
    1,2,4-trichlorobenzene 86.47
    4-methylpyridine 115.81
    dibutyl ether 64.12
    2,6-dimethyl-4-heptanol 37.02
    DEF 136.81
    dimethyl isosorbide 192.01
    tetrachloroethylene 161.78
    eugenol 81.08
    triacetin 115.84
    span 80 94.71
    1,4-butanediol 45.01
    1,1-dichloroethane 170.46
    2-methyl-1-pentanol 111.22
    methyl formate 31.81
    2-methyl-1-butanol 104.51
    n-decane 4.46
    butyronitrile 79.53
    3,7-dimethyl-1-octanol 43.35
    1-chlorooctane 23.3
    1-chlorotetradecane 9.81
    n-nonane 3.68
    undecane 3.3
    tert-butylcyclohexane 9.82
    cyclooctane 5.2
    cyclopentanol 107.54
    tetrahydropyran 273.61
    tert-amyl methyl ether 116.79
    2,5,8-trioxanonane 209.75
    1-hexene 42.34
    2-isopropoxyethanol 167.47
    2,2,2-trifluoroethanol 28.81
    methyl butyrate 136.74

    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