Propyl undec-10-enoate

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  • Identifiers

    CAS number
    94230-80-5

    Molecular formula
    C14H26O2

    SMILES
    CCCOC(=O)CCCCCCCCC=C

  • Odor profile

    Fragrance
    Fatty 77.98%
    Fruity 75.35%
    Waxy 68.22%
    Oily 55.86%
    Winey 53.58%
    Sweet 50.85%
    Floral 46.82%
    Rose 45.91%
    Cognac 44.63%
    Pineapple 39.21%

     

    Flavor
    Fruity 71.88%
    Waxy 69.42%
    Soapy 41.73%
    Sweet 41.54%
    Floral 40.36%
    Green 40.34%
    Oily 39.98%
    Tropical 37.38%
    Pear 36.22%
    Creamy 35.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.84 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 119.61 ˚C est.

  • Synonyms

    • Propyl undec-10-enoate
    • Propyl 10-undecenoate
    • 94230-80-5
    • UNII-9F77VFL535
    • 10-Undecenoic acid, propyl ester
    • 9F77VFL535
    • EINECS 303-791-3
    • n-Propyl 10-undecenoate
    • Propyl 10-undecenoate #
    • SCHEMBL6434039
    • DTXSID80241090
    • undec-10-enoic acid propyl ester
    • PROPYL UNDECENOATE [WHO-DD]
    • J382.549C
    • NS00040286
    • Q27272473

  • Applications

    Propyl undec-10-enoate (CAS 94230-80-5) is used primarily as an intermediate and processing additive in specialty chemical applications. In perfumery and cosmetics, it can function as an odorant and fragrance ingredient with a long-chain aliphatic structure contributing to fixative properties; in coatings, inks and adhesives, it acts as a plasticizer or processing aid to improve film flexibility and handling; in polymers/plastics manufacturing, it may be employed as a monomer or co-monomer for specialty polyesters or as a reactive solvent in formulation systems; in industrial manufacturing, it serves as a solvent or carrier for formulations, helping to dissolve other ingredients and adjust viscosity; and in cleaning products, it can be used as a solvent and fragrance component to provide solvency and scent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3678.14
    methanol 3530.46
    isopropanol 3672.35
    water 0.04
    ethyl acetate 4131.87
    n-propanol 3293.98
    acetone 5869.8
    n-butanol 3050.82
    acetonitrile 2714.25
    DMF 3580.43
    toluene 1521.9
    isobutanol 2701.11
    1,4-dioxane 3593.78
    methyl acetate 2611.9
    THF 5788.58
    2-butanone 4319.37
    n-pentanol 2221.91
    sec-butanol 3386.46
    n-hexane 1200.04
    ethylene glycol 147.31
    NMP 2483.18
    cyclohexane 1635.36
    DMSO 4352.21
    n-butyl acetate 3507.99
    n-octanol 893.91
    chloroform 5562.21
    n-propyl acetate 3167.7
    acetic acid 1662.68
    dichloromethane 5903.93
    cyclohexanone 5877.43
    propylene glycol 395.19
    isopropyl acetate 2778.17
    DMAc 2600.68
    2-ethoxyethanol 1905.72
    isopentanol 2867.07
    n-heptane 430.37
    ethyl formate 1652.34
    1,2-dichloroethane 4513.28
    n-hexanol 2032.93
    2-methoxyethanol 2591.25
    isobutyl acetate 1674.12
    tetrachloromethane 943.11
    n-pentyl acetate 2037.55
    transcutol 6148.61
    n-heptanol 789.45
    ethylbenzene 943.75
    MIBK 2177.38
    2-propoxyethanol 2262.36
    tert-butanol 3839.6
    MTBE 4581.81
    2-butoxyethanol 1288.48
    propionic acid 1479.18
    o-xylene 893.43
    formic acid 245.33
    diethyl ether 5124.69
    m-xylene 994.99
    p-xylene 1141.99
    chlorobenzene 1956.78
    dimethyl carbonate 499.07
    n-octane 157.88
    formamide 438.16
    cyclopentanone 4303.87
    2-pentanone 4290.2
    anisole 1381.2
    cyclopentyl methyl ether 3510.05
    gamma-butyrolactone 3506.63
    1-methoxy-2-propanol 2237.86
    pyridine 3559.57
    3-pentanone 2450.8
    furfural 2393.04
    n-dodecane 83.85
    diethylene glycol 921.59
    diisopropyl ether 1326.37
    tert-amyl alcohol 3283.1
    acetylacetone 2897.26
    n-hexadecane 102.71
    acetophenone 1315.89
    methyl propionate 2158.36
    isopentyl acetate 2718.48
    trichloroethylene 6179.17
    n-nonanol 739.0
    cyclohexanol 3055.05
    benzyl alcohol 1039.32
    2-ethylhexanol 1385.98
    isooctanol 716.13
    dipropyl ether 2188.02
    1,2-dichlorobenzene 1647.1
    ethyl lactate 669.77
    propylene carbonate 1942.38
    n-methylformamide 1439.9
    2-pentanol 2703.82
    n-pentane 719.5
    1-propoxy-2-propanol 2002.53
    1-methoxy-2-propyl acetate 1927.8
    2-(2-methoxypropoxy) propanol 1051.85
    mesitylene 640.1
    ε-caprolactone 3872.71
    p-cymene 505.81
    epichlorohydrin 4470.05
    1,1,1-trichloroethane 4097.39
    2-aminoethanol 609.48
    morpholine-4-carbaldehyde 2284.47
    sulfolane 3498.62
    2,2,4-trimethylpentane 257.0
    2-methyltetrahydrofuran 5277.17
    n-hexyl acetate 2311.5
    isooctane 212.32
    2-(2-butoxyethoxy)ethanol 1591.95
    sec-butyl acetate 2015.92
    tert-butyl acetate 2446.96
    decalin 449.51
    glycerin 401.88
    diglyme 2974.27
    acrylic acid 833.18
    isopropyl myristate 694.13
    n-butyric acid 3390.94
    acetyl acetate 1637.48
    di(2-ethylhexyl) phthalate 499.24
    ethyl propionate 2302.18
    nitromethane 2835.06
    1,2-diethoxyethane 3044.4
    benzonitrile 1661.28
    trioctyl phosphate 392.2
    1-bromopropane 3992.17
    gamma-valerolactone 4396.83
    n-decanol 489.61
    triethyl phosphate 618.41
    4-methyl-2-pentanol 1200.0
    propionitrile 2362.47
    vinylene carbonate 1550.17
    1,1,2-trichlorotrifluoroethane 2068.19
    DMS 1089.86
    cumene 564.95
    2-octanol 701.1
    2-hexanone 3056.92
    octyl acetate 832.78
    limonene 985.68
    1,2-dimethoxyethane 3819.37
    ethyl orthosilicate 640.81
    tributyl phosphate 554.49
    diacetone alcohol 1886.51
    N,N-dimethylaniline 896.62
    acrylonitrile 2043.83
    aniline 1502.95
    1,3-propanediol 1223.0
    bromobenzene 2268.73
    dibromomethane 4631.41
    1,1,2,2-tetrachloroethane 5233.69
    2-methyl-cyclohexyl acetate 1259.75
    tetrabutyl urea 702.43
    diisobutyl methanol 760.87
    2-phenylethanol 1002.99
    styrene 1295.17
    dioctyl adipate 931.31
    dimethyl sulfate 712.91
    ethyl butyrate 2088.99
    methyl lactate 621.53
    butyl lactate 1139.2
    diethyl carbonate 1073.14
    propanediol butyl ether 1085.92
    triethyl orthoformate 1152.19
    p-tert-butyltoluene 466.93
    methyl 4-tert-butylbenzoate 963.26
    morpholine 5188.44
    tert-butylamine 2518.07
    n-dodecanol 353.84
    dimethoxymethane 2246.26
    ethylene carbonate 1550.2
    cyrene 789.02
    2-ethoxyethyl acetate 1864.73
    2-ethylhexyl acetate 2081.4
    1,2,4-trichlorobenzene 1703.59
    4-methylpyridine 3598.08
    dibutyl ether 2173.91
    2,6-dimethyl-4-heptanol 760.87
    DEF 3491.77
    dimethyl isosorbide 1646.58
    tetrachloroethylene 3331.86
    eugenol 872.17
    triacetin 1391.71
    span 80 1085.88
    1,4-butanediol 500.87
    1,1-dichloroethane 4788.91
    2-methyl-1-pentanol 2006.17
    methyl formate 853.79
    2-methyl-1-butanol 2546.92
    n-decane 186.41
    butyronitrile 3329.31
    3,7-dimethyl-1-octanol 953.34
    1-chlorooctane 851.14
    1-chlorotetradecane 244.54
    n-nonane 206.52
    undecane 116.32
    tert-butylcyclohexane 373.11
    cyclooctane 379.66
    cyclopentanol 2531.56
    tetrahydropyran 6967.55
    tert-amyl methyl ether 2709.29
    2,5,8-trioxanonane 1757.37
    1-hexene 3258.8
    2-isopropoxyethanol 1540.81
    2,2,2-trifluoroethanol 328.74
    methyl butyrate 3298.12

    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