Phenethyl decanoate

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  • Identifiers

    CAS number
    61810-55-7

    Molecular formula
    C18H28O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 72.58%
    Waxy 65.17%
    Rose 64.85%
    Fatty 59.72%
    Sweet 58.16%
    Oily 58.13%
    Green 49.99%
    Winey 48.9%
    Honey 47.49%
    Herbal 46.39%

    Scent© AI

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.02 (neutral)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point est.
    158.61 ˚C

  • Synonyms

    • Phenethyl decanoate
    • 2-Phenylethyl decanoate
    • 61810-55-7
    • Decanoic acid, 2-phenylethyl ester
    • UNII-B4IWO45796
    • B4IWO45796
    • PHENETHYL CAPRATE
    • EINECS 263-237-0
    • FEMA NO. 4314
    • DTXSID80210807
    • .BETA.-PHENYLETHYL CAPRATE
    • PHENETHYL DECANOATE [FHFI]
    • Phenylethyl N-decanoate
    • BETA-PHENYLETHYL CAPRATE
    • SCHEMBL3506704
    • DTXCID70133298
    • CHEBI:171731
    • AKOS028110755
    • WS-03237
    • NS00022518
    • Q27274355
    • 263-237-0

  • Applications

    Phenethyl decanoate (CAS 61810-55-7) is a high-grade aromatic ester with a sweet, honey-rose odor that is widely used in perfumery to build long-lasting floral notes and act as a fixative, in personal-care cosmetics such as creams, shampoos and premium soaps to impart a luxurious sensory profile, and as a flavor enhancer for beverages, confectionery and dairy products by adding natural fruit-flower nuances; it is also employed in pharmaceutical formulations to mask active-ingredient odors, in veterinary and agricultural products as a semi-volatile compound for insect attraction or repulsion, and in controlled-release material research because its ester linkage undergoes biodegradable hydrolysis that regulates the release rate of lipophilic actives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3140.17
    methanol 3844.94
    isopropanol 1831.55
    water 0.12
    ethyl acetate 4989.07
    n-propanol 2336.84
    acetone 7234.89
    n-butanol 1793.12
    acetonitrile 3777.74
    DMF 5229.79
    toluene 1188.06
    isobutanol 1477.3
    1,4-dioxane 3932.11
    methyl acetate 3093.24
    THF 4874.25
    2-butanone 4167.17
    n-pentanol 1166.26
    sec-butanol 1471.67
    n-hexane 149.77
    ethylene glycol 119.39
    NMP 3219.2
    cyclohexane 442.39
    DMSO 7027.5
    n-butyl acetate 2492.25
    n-octanol 281.31
    chloroform 6867.94
    n-propyl acetate 2914.0
    acetic acid 1746.35
    dichloromethane 9646.28
    cyclohexanone 5889.78
    propylene glycol 272.16
    isopropyl acetate 2615.31
    DMAc 3798.86
    2-ethoxyethanol 1745.53
    isopentanol 1515.44
    n-heptane 72.16
    ethyl formate 1838.92
    1,2-dichloroethane 7941.76
    n-hexanol 769.7
    2-methoxyethanol 2768.72
    isobutyl acetate 1449.16
    tetrachloromethane 849.27
    n-pentyl acetate 1408.49
    transcutol 6410.91
    n-heptanol 326.18
    ethylbenzene 579.34
    MIBK 1829.09
    2-propoxyethanol 1470.5
    tert-butanol 1815.72
    MTBE 2916.57
    2-butoxyethanol 857.15
    propionic acid 1571.13
    o-xylene 634.14
    formic acid 374.68
    diethyl ether 4275.36
    m-xylene 641.26
    p-xylene 744.2
    chlorobenzene 2003.99
    dimethyl carbonate 846.33
    n-octane 30.31
    formamide 1042.79
    cyclopentanone 4898.83
    2-pentanone 3874.08
    anisole 1334.94
    cyclopentyl methyl ether 2769.67
    gamma-butyrolactone 4466.07
    1-methoxy-2-propanol 1924.26
    pyridine 3995.74
    3-pentanone 2541.7
    furfural 2848.52
    n-dodecane 21.14
    diethylene glycol 726.46
    diisopropyl ether 755.97
    tert-amyl alcohol 1418.68
    acetylacetone 3503.66
    n-hexadecane 26.64
    acetophenone 1280.33
    methyl propionate 2872.36
    isopentyl acetate 1965.6
    trichloroethylene 9502.29
    n-nonanol 260.24
    cyclohexanol 1751.83
    benzyl alcohol 837.49
    2-ethylhexanol 529.96
    isooctanol 310.38
    dipropyl ether 1202.66
    1,2-dichlorobenzene 1802.02
    ethyl lactate 615.11
    propylene carbonate 2154.84
    n-methylformamide 2529.04
    2-pentanol 1129.72
    n-pentane 105.04
    1-propoxy-2-propanol 1174.7
    1-methoxy-2-propyl acetate 1812.06
    2-(2-methoxypropoxy) propanol 720.19
    mesitylene 402.46
    ε-caprolactone 3753.55
    p-cymene 262.03
    epichlorohydrin 6252.66
    1,1,1-trichloroethane 4447.56
    2-aminoethanol 544.72
    morpholine-4-carbaldehyde 2873.65
    sulfolane 4944.37
    2,2,4-trimethylpentane 74.7
    2-methyltetrahydrofuran 4165.84
    n-hexyl acetate 1401.11
    isooctane 51.58
    2-(2-butoxyethoxy)ethanol 1128.42
    sec-butyl acetate 1668.19
    tert-butyl acetate 2256.02
    decalin 156.76
    glycerin 333.25
    diglyme 2801.2
    acrylic acid 949.42
    isopropyl myristate 395.17
    n-butyric acid 3014.04
    acetyl acetate 2078.32
    di(2-ethylhexyl) phthalate 315.15
    ethyl propionate 2269.81
    nitromethane 5185.42
    1,2-diethoxyethane 2790.86
    benzonitrile 1353.23
    trioctyl phosphate 219.88
    1-bromopropane 3661.44
    gamma-valerolactone 5629.07
    n-decanol 174.55
    triethyl phosphate 527.28
    4-methyl-2-pentanol 514.0
    propionitrile 2245.5
    vinylene carbonate 1829.09
    1,1,2-trichlorotrifluoroethane 2542.85
    DMS 1153.75
    cumene 324.46
    2-octanol 244.05
    2-hexanone 2393.23
    octyl acetate 491.34
    limonene 499.28
    1,2-dimethoxyethane 3649.52
    ethyl orthosilicate 526.21
    tributyl phosphate 363.65
    diacetone alcohol 1644.0
    N,N-dimethylaniline 690.31
    acrylonitrile 2257.57
    aniline 1375.4
    1,3-propanediol 1087.62
    bromobenzene 2251.1
    dibromomethane 5784.27
    1,1,2,2-tetrachloroethane 7280.87
    2-methyl-cyclohexyl acetate 916.35
    tetrabutyl urea 490.96
    diisobutyl methanol 297.24
    2-phenylethanol 689.37
    styrene 921.54
    dioctyl adipate 620.86
    dimethyl sulfate 1313.33
    ethyl butyrate 1742.83
    methyl lactate 695.6
    butyl lactate 819.74
    diethyl carbonate 965.46
    propanediol butyl ether 630.72
    triethyl orthoformate 942.03
    p-tert-butyltoluene 236.06
    methyl 4-tert-butylbenzoate 785.49
    morpholine 5464.12
    tert-butylamine 1016.39
    n-dodecanol 126.62
    dimethoxymethane 3068.76
    ethylene carbonate 1882.81
    cyrene 635.27
    2-ethoxyethyl acetate 1910.76
    2-ethylhexyl acetate 1459.81
    1,2,4-trichlorobenzene 1899.37
    4-methylpyridine 3510.78
    dibutyl ether 1041.41
    2,6-dimethyl-4-heptanol 297.24
    DEF 3990.47
    dimethyl isosorbide 1367.38
    tetrachloroethylene 4406.99
    eugenol 669.15
    triacetin 1249.18
    span 80 610.21
    1,4-butanediol 365.81
    1,1-dichloroethane 5906.41
    2-methyl-1-pentanol 949.82
    methyl formate 1400.66
    2-methyl-1-butanol 1428.68
    n-decane 43.33
    butyronitrile 2419.84
    3,7-dimethyl-1-octanol 347.0
    1-chlorooctane 323.12
    1-chlorotetradecane 95.45
    n-nonane 42.49
    undecane 28.32
    tert-butylcyclohexane 113.24
    cyclooctane 78.49
    cyclopentanol 1521.04
    tetrahydropyran 5779.61
    tert-amyl methyl ether 1622.83
    2,5,8-trioxanonane 1458.21
    1-hexene 938.18
    2-isopropoxyethanol 1182.81
    2,2,2-trifluoroethanol 518.58
    methyl butyrate 3256.72

    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

Botanical

Name CAS Botanical Proportion
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.03%