Pentyl 4-oxovalerate

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  • Identifiers

    CAS number
    20279-49-6

    Molecular formula
    C10H18O3

    SMILES
    CCCCCOC(=O)CCC(=O)C

  • Odor profile

    Fruity 93.88%
    Caramellic 66.75%
    Sweet 55.91%
    Winey 54.0%
    Oily 46.98%
    Herbal 44.25%
    Buttery 39.35%
    Fatty 38.56%
    Apple 34.85%
    Pineapple 33.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point est.
    110.19 ˚C

  • Synonyms

    • Pentyl 4-oxovalerate
    • 20279-49-6
    • Pentyl levulinate
    • Pentanoic acid, 4-oxo-, pentyl ester
    • N-Amyl levulinate
    • Pentyl 4-oxopentanoate
    • EINECS 243-675-9
    • Lavulinsaure-amylester
    • Levulinic acid, pentyl ester
    • SCHEMBL875181
    • DTXSID20174131
    • 4-oxo-pentanoic acid pentyl ester
    • AKOS006273668
    • NS00026568
    • Q63398011

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2623.26
    methanol 4162.55
    isopropanol 1522.96
    water 4.0
    ethyl acetate 893.27
    n-propanol 1214.47
    acetone 1594.75
    n-butanol 1000.33
    acetonitrile 1451.38
    DMF 2164.85
    toluene 277.67
    isobutanol 770.98
    1,4-dioxane 1590.86
    methyl acetate 862.4
    THF 1578.45
    2-butanone 896.58
    n-pentanol 722.79
    sec-butanol 961.8
    n-hexane 47.83
    ethylene glycol 375.18
    NMP 1126.83
    cyclohexane 52.94
    DMSO 2263.42
    n-butyl acetate 615.17
    n-octanol 175.36
    chloroform 1613.6
    n-propyl acetate 527.49
    acetic acid 2000.76
    dichloromethane 1439.24
    cyclohexanone 1054.22
    propylene glycol 461.35
    isopropyl acetate 544.57
    DMAc 1924.75
    2-ethoxyethanol 1273.81
    isopentanol 828.37
    n-heptane 14.07
    ethyl formate 726.73
    1,2-dichloroethane 916.32
    n-hexanol 458.11
    2-methoxyethanol 1981.85
    isobutyl acetate 366.83
    tetrachloromethane 166.52
    n-pentyl acetate 278.93
    transcutol 2699.87
    n-heptanol 153.99
    ethylbenzene 194.65
    MIBK 424.9
    2-propoxyethanol 900.47
    tert-butanol 1460.06
    MTBE 834.06
    2-butoxyethanol 439.15
    propionic acid 842.97
    o-xylene 194.52
    formic acid 898.6
    diethyl ether 670.48
    m-xylene 188.47
    p-xylene 265.22
    chlorobenzene 434.63
    dimethyl carbonate 203.05
    n-octane 7.73
    formamide 1179.51
    cyclopentanone 995.0
    2-pentanone 677.38
    anisole 513.84
    cyclopentyl methyl ether 544.7
    gamma-butyrolactone 1105.22
    1-methoxy-2-propanol 1138.17
    pyridine 1189.47
    3-pentanone 373.3
    furfural 1139.39
    n-dodecane 8.9
    diethylene glycol 778.71
    diisopropyl ether 138.25
    tert-amyl alcohol 996.37
    acetylacetone 842.88
    n-hexadecane 10.19
    acetophenone 480.92
    methyl propionate 495.1
    isopentyl acetate 572.73
    trichloroethylene 1624.87
    n-nonanol 152.01
    cyclohexanol 657.93
    benzyl alcohol 526.19
    2-ethylhexanol 246.19
    isooctanol 130.16
    dipropyl ether 190.84
    1,2-dichlorobenzene 383.12
    ethyl lactate 242.24
    propylene carbonate 632.81
    n-methylformamide 1102.24
    2-pentanol 525.51
    n-pentane 32.27
    1-propoxy-2-propanol 537.22
    1-methoxy-2-propyl acetate 531.85
    2-(2-methoxypropoxy) propanol 488.11
    mesitylene 105.28
    ε-caprolactone 978.7
    p-cymene 88.76
    epichlorohydrin 1304.48
    1,1,1-trichloroethane 718.82
    2-aminoethanol 829.36
    morpholine-4-carbaldehyde 1392.61
    sulfolane 1089.52
    2,2,4-trimethylpentane 25.38
    2-methyltetrahydrofuran 1068.78
    n-hexyl acetate 408.6
    isooctane 16.2
    2-(2-butoxyethoxy)ethanol 700.11
    sec-butyl acetate 385.12
    tert-butyl acetate 540.03
    decalin 45.2
    glycerin 560.37
    diglyme 1256.71
    acrylic acid 677.41
    isopropyl myristate 128.5
    n-butyric acid 1236.7
    acetyl acetate 536.34
    di(2-ethylhexyl) phthalate 163.31
    ethyl propionate 397.87
    nitromethane 2327.49
    1,2-diethoxyethane 679.65
    benzonitrile 626.16
    trioctyl phosphate 98.29
    1-bromopropane 493.11
    gamma-valerolactone 1545.96
    n-decanol 103.69
    triethyl phosphate 152.5
    4-methyl-2-pentanol 265.5
    propionitrile 749.46
    vinylene carbonate 626.36
    1,1,2-trichlorotrifluoroethane 1119.26
    DMS 340.92
    cumene 127.25
    2-octanol 108.5
    2-hexanone 550.14
    octyl acetate 166.74
    limonene 134.09
    1,2-dimethoxyethane 1783.48
    ethyl orthosilicate 157.35
    tributyl phosphate 155.9
    diacetone alcohol 657.94
    N,N-dimethylaniline 334.76
    acrylonitrile 941.72
    aniline 535.33
    1,3-propanediol 1156.8
    bromobenzene 424.22
    dibromomethane 905.68
    1,1,2,2-tetrachloroethane 1434.09
    2-methyl-cyclohexyl acetate 272.11
    tetrabutyl urea 188.29
    diisobutyl methanol 123.44
    2-phenylethanol 388.84
    styrene 296.2
    dioctyl adipate 236.61
    dimethyl sulfate 341.24
    ethyl butyrate 344.06
    methyl lactate 293.08
    butyl lactate 262.34
    diethyl carbonate 241.81
    propanediol butyl ether 468.24
    triethyl orthoformate 231.5
    p-tert-butyltoluene 86.5
    methyl 4-tert-butylbenzoate 299.15
    morpholine 2086.61
    tert-butylamine 745.88
    n-dodecanol 74.01
    dimethoxymethane 818.87
    ethylene carbonate 546.56
    cyrene 371.08
    2-ethoxyethyl acetate 459.23
    2-ethylhexyl acetate 411.42
    1,2,4-trichlorobenzene 472.64
    4-methylpyridine 1212.81
    dibutyl ether 232.4
    2,6-dimethyl-4-heptanol 123.44
    DEF 888.63
    dimethyl isosorbide 602.1
    tetrachloroethylene 861.23
    eugenol 340.68
    triacetin 416.65
    span 80 380.13
    1,4-butanediol 470.63
    1,1-dichloroethane 923.23
    2-methyl-1-pentanol 632.29
    methyl formate 666.17
    2-methyl-1-butanol 716.53
    n-decane 14.97
    butyronitrile 881.35
    3,7-dimethyl-1-octanol 211.24
    1-chlorooctane 90.62
    1-chlorotetradecane 33.61
    n-nonane 13.47
    undecane 11.1
    tert-butylcyclohexane 41.95
    cyclooctane 12.4
    cyclopentanol 643.82
    tetrahydropyran 1162.65
    tert-amyl methyl ether 534.32
    2,5,8-trioxanonane 836.34
    1-hexene 267.96
    2-isopropoxyethanol 731.25
    2,2,2-trifluoroethanol 455.93
    methyl butyrate 657.33

    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
Chenopodium ambrosioides Chenopodium ambrosioides L., fam. Chenopodiaceae 0.07%