10-Undecenoic acid, 2-phenylethyl ester

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  • Identifiers

    CAS number
    72727-63-0

    Molecular formula
    C19H28O2

    SMILES
    C=CCCCCCCCCC(=O)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 68.77%
    Waxy 64.36%
    Rose 63.31%
    Sweet 61.6%
    Fatty 61.57%
    Honey 48.96%
    Oily 45.38%
    Balsamic 42.81%
    Green 42.47%
    Fruity 37.28%

     

    Flavor
    Waxy 74.11%
    Fruity 66.74%
    Sweet 54.35%
    Green 53.18%
    Floral 47.81%
    Rose 39.8%
    Oily 38.79%
    Tropical 34.54%
    Soapy 32.48%
    Clean 32.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    6.25 (neutral)

    Molecular weight
    288.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 170.93 ˚C est.

  • Synonyms

    • 72727-63-0
    • Phenethyl undec-10-enoate
    • 10-Undecenoic acid, 2-phenylethyl ester
    • EINECS 276-796-0
    • DTXSID8072586
    • 2-Phenylethyl 10-undecenoate
    • SCHEMBL7961983
    • DTXCID9047330
    • X9QS9925W9
    • undec-10-enoic acid phenethyl ester
    • AKOS024264041
    • NS00037399

  • Applications

    10-Undecenoic acid, 2-phenylethyl ester (CAS 72727-63-0) is commonly used as a fragrance ingredient and odorant, often serving as a fixative to extend scent in perfumery; it also finds applications in cosmetics and personal care as a fragrance component; in household products such as air fresheners and cleaners it contributes fragrance notes; it can act as an intermediate in the synthesis of specialty fragrance esters and related functionalized polymers, leveraging the terminal vinyl group for potential polymerization or grafting; in coatings and inks, it may be employed to introduce scent or to modify formulation properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.25
    methanol 1043.06
    isopropanol 507.5
    water 0.07
    ethyl acetate 1560.83
    n-propanol 661.2
    acetone 1934.39
    n-butanol 569.09
    acetonitrile 771.22
    DMF 1652.93
    toluene 522.27
    isobutanol 458.82
    1,4-dioxane 1436.48
    methyl acetate 934.2
    THF 2280.87
    2-butanone 1371.3
    n-pentanol 445.9
    sec-butanol 512.29
    n-hexane 48.67
    ethylene glycol 37.9
    NMP 1348.87
    cyclohexane 159.65
    DMSO 2687.7
    n-butyl acetate 792.5
    n-octanol 107.65
    chloroform 2971.97
    n-propyl acetate 952.99
    acetic acid 575.12
    dichloromethane 4015.52
    cyclohexanone 2073.98
    propylene glycol 102.35
    isopropyl acetate 854.64
    DMAc 1817.73
    2-ethoxyethanol 706.87
    isopentanol 505.88
    n-heptane 27.98
    ethyl formate 556.24
    1,2-dichloroethane 3079.77
    n-hexanol 276.26
    2-methoxyethanol 968.41
    isobutyl acetate 511.13
    tetrachloromethane 303.45
    n-pentyl acetate 506.03
    transcutol 3263.28
    n-heptanol 125.85
    ethylbenzene 249.48
    MIBK 698.39
    2-propoxyethanol 592.04
    tert-butanol 539.84
    MTBE 872.22
    2-butoxyethanol 354.39
    propionic acid 492.72
    o-xylene 294.38
    formic acid 139.56
    diethyl ether 1394.6
    m-xylene 282.07
    p-xylene 299.97
    chlorobenzene 794.59
    dimethyl carbonate 330.68
    n-octane 11.91
    formamide 358.52
    cyclopentanone 1858.51
    2-pentanone 1288.95
    anisole 576.74
    cyclopentyl methyl ether 1123.79
    gamma-butyrolactone 1718.51
    1-methoxy-2-propanol 725.09
    pyridine 1478.76
    3-pentanone 959.38
    furfural 1197.7
    n-dodecane 8.75
    diethylene glycol 299.83
    diisopropyl ether 261.57
    tert-amyl alcohol 501.38
    acetylacetone 1307.06
    n-hexadecane 10.81
    acetophenone 568.12
    methyl propionate 977.61
    isopentyl acetate 661.65
    trichloroethylene 3921.52
    n-nonanol 106.23
    cyclohexanol 642.84
    benzyl alcohol 367.58
    2-ethylhexanol 202.07
    isooctanol 127.05
    dipropyl ether 428.97
    1,2-dichlorobenzene 757.16
    ethyl lactate 250.72
    propylene carbonate 868.35
    n-methylformamide 704.83
    2-pentanol 390.31
    n-pentane 36.3
    1-propoxy-2-propanol 460.7
    1-methoxy-2-propyl acetate 703.27
    2-(2-methoxypropoxy) propanol 366.72
    mesitylene 171.81
    ε-caprolactone 1416.77
    p-cymene 115.93
    epichlorohydrin 2575.09
    1,1,1-trichloroethane 1599.21
    2-aminoethanol 174.87
    morpholine-4-carbaldehyde 1158.09
    sulfolane 2012.27
    2,2,4-trimethylpentane 33.31
    2-methyltetrahydrofuran 1691.15
    n-hexyl acetate 518.8
    isooctane 21.47
    2-(2-butoxyethoxy)ethanol 560.15
    sec-butyl acetate 595.53
    tert-butyl acetate 817.15
    decalin 64.76
    glycerin 142.46
    diglyme 1322.0
    acrylic acid 316.99
    isopropyl myristate 156.82
    n-butyric acid 979.55
    acetyl acetate 698.36
    di(2-ethylhexyl) phthalate 145.42
    ethyl propionate 758.79
    nitromethane 1528.27
    1,2-diethoxyethane 1126.28
    benzonitrile 506.8
    trioctyl phosphate 95.07
    1-bromopropane 1363.88
    gamma-valerolactone 2077.44
    n-decanol 72.68
    triethyl phosphate 245.09
    4-methyl-2-pentanol 195.61
    propionitrile 595.42
    vinylene carbonate 699.66
    1,1,2-trichlorotrifluoroethane 1110.78
    DMS 476.42
    cumene 144.23
    2-octanol 90.83
    2-hexanone 829.04
    octyl acetate 194.22
    limonene 217.98
    1,2-dimethoxyethane 1332.78
    ethyl orthosilicate 243.53
    tributyl phosphate 155.17
    diacetone alcohol 662.48
    N,N-dimethylaniline 334.2
    acrylonitrile 631.66
    aniline 553.42
    1,3-propanediol 356.77
    bromobenzene 901.71
    dibromomethane 2287.32
    1,1,2,2-tetrachloroethane 3225.89
    2-methyl-cyclohexyl acetate 397.66
    tetrabutyl urea 215.4
    diisobutyl methanol 126.6
    2-phenylethanol 291.71
    styrene 359.19
    dioctyl adipate 275.27
    dimethyl sulfate 555.18
    ethyl butyrate 627.24
    methyl lactate 286.06
    butyl lactate 339.64
    diethyl carbonate 371.73
    propanediol butyl ether 285.6
    triethyl orthoformate 398.81
    p-tert-butyltoluene 103.99
    methyl 4-tert-butylbenzoate 361.56
    morpholine 1962.0
    tert-butylamine 312.41
    n-dodecanol 53.19
    dimethoxymethane 1279.48
    ethylene carbonate 679.9
    cyrene 343.35
    2-ethoxyethyl acetate 746.03
    2-ethylhexyl acetate 512.83
    1,2,4-trichlorobenzene 833.26
    4-methylpyridine 1302.62
    dibutyl ether 357.88
    2,6-dimethyl-4-heptanol 126.6
    DEF 1376.65
    dimethyl isosorbide 731.19
    tetrachloroethylene 1874.6
    eugenol 318.91
    triacetin 538.12
    span 80 302.63
    1,4-butanediol 132.42
    1,1-dichloroethane 2085.6
    2-methyl-1-pentanol 398.33
    methyl formate 411.68
    2-methyl-1-butanol 505.28
    n-decane 17.17
    butyronitrile 681.69
    3,7-dimethyl-1-octanol 140.62
    1-chlorooctane 118.79
    1-chlorotetradecane 38.77
    n-nonane 16.06
    undecane 11.51
    tert-butylcyclohexane 45.92
    cyclooctane 31.68
    cyclopentanol 531.55
    tetrahydropyran 2130.46
    tert-amyl methyl ether 612.24
    2,5,8-trioxanonane 736.03
    1-hexene 305.49
    2-isopropoxyethanol 493.98
    2,2,2-trifluoroethanol 170.13
    methyl butyrate 1023.55

    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