Allyl levulinate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1070-35-5

    Molecular formula
    C8H12O3

    SMILES
    CC(=O)CCC(=O)OCC=C

  • Odor profile

    Fruity 92.8%
    Caramellic 64.26%
    Sweet 63.77%
    Green 61.95%
    Pineapple 50.25%
    Winey 44.15%
    Tropical 43.89%
    Apple 43.49%
    Ethereal 39.44%
    Burnt 35.96%

    Scent© AI

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.38 (weak base)

    Molecular weight
    156.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    95.19 ˚C

  • Synonyms

    • Allyl levulinate
    • 1070-35-5
    • Allyl 4-oxopentanoate
    • prop-2-enyl 4-oxopentanoate
    • Pentanoic acid, 4-oxo-, 2-propenyl ester
    • Levulinic acid, 2-propenyl ester
    • Allyl-4-oxopentanoat
    • Allyl 4-oxopentanoate #
    • SCHEMBL720931
    • DTXSID70910208
    • DB-091263
    • Q63409861

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 465.79
    methanol 774.52
    isopropanol 348.3
    water 18.74
    ethyl acetate 148.73
    n-propanol 237.59
    acetone 260.63
    n-butanol 219.85
    acetonitrile 268.77
    DMF 526.42
    toluene 53.11
    isobutanol 183.95
    1,4-dioxane 368.6
    methyl acetate 238.77
    THF 310.49
    2-butanone 209.36
    n-pentanol 168.59
    sec-butanol 232.14
    n-hexane 11.15
    ethylene glycol 118.94
    NMP 339.19
    cyclohexane 9.91
    DMSO 485.54
    n-butyl acetate 94.44
    n-octanol 67.15
    chloroform 228.76
    n-propyl acetate 91.04
    acetic acid 343.09
    dichloromethane 248.81
    cyclohexanone 200.8
    propylene glycol 125.22
    isopropyl acetate 81.04
    DMAc 708.07
    2-ethoxyethanol 342.92
    isopentanol 200.1
    n-heptane 5.6
    ethyl formate 200.82
    1,2-dichloroethane 142.03
    n-hexanol 108.68
    2-methoxyethanol 539.14
    isobutyl acetate 62.33
    tetrachloromethane 24.74
    n-pentyl acetate 56.64
    transcutol 617.27
    n-heptanol 47.18
    ethylbenzene 55.81
    MIBK 84.3
    2-propoxyethanol 215.8
    tert-butanol 380.87
    MTBE 187.9
    2-butoxyethanol 118.75
    propionic acid 187.97
    o-xylene 57.02
    formic acid 246.73
    diethyl ether 127.69
    m-xylene 42.35
    p-xylene 81.57
    chlorobenzene 75.55
    dimethyl carbonate 62.68
    n-octane 4.01
    formamide 303.18
    cyclopentanone 192.2
    2-pentanone 120.42
    anisole 151.49
    cyclopentyl methyl ether 105.41
    gamma-butyrolactone 241.34
    1-methoxy-2-propanol 288.29
    pyridine 211.76
    3-pentanone 84.07
    furfural 301.47
    n-dodecane 5.49
    diethylene glycol 222.7
    diisopropyl ether 29.26
    tert-amyl alcohol 281.02
    acetylacetone 141.41
    n-hexadecane 5.94
    acetophenone 143.44
    methyl propionate 116.35
    isopentyl acetate 94.53
    trichloroethylene 245.04
    n-nonanol 58.38
    cyclohexanol 137.86
    benzyl alcohol 149.95
    2-ethylhexanol 67.53
    isooctanol 41.69
    dipropyl ether 47.2
    1,2-dichlorobenzene 74.84
    ethyl lactate 66.9
    propylene carbonate 144.87
    n-methylformamide 286.57
    2-pentanol 120.33
    n-pentane 8.16
    1-propoxy-2-propanol 129.57
    1-methoxy-2-propyl acetate 102.81
    2-(2-methoxypropoxy) propanol 174.51
    mesitylene 26.65
    ε-caprolactone 192.08
    p-cymene 29.73
    epichlorohydrin 271.99
    1,1,1-trichloroethane 102.59
    2-aminoethanol 206.26
    morpholine-4-carbaldehyde 422.56
    sulfolane 252.51
    2,2,4-trimethylpentane 9.54
    2-methyltetrahydrofuran 218.9
    n-hexyl acetate 100.42
    isooctane 4.82
    2-(2-butoxyethoxy)ethanol 206.92
    sec-butyl acetate 67.87
    tert-butyl acetate 95.79
    decalin 12.16
    glycerin 171.66
    diglyme 352.85
    acrylic acid 161.01
    isopropyl myristate 42.24
    n-butyric acid 210.62
    acetyl acetate 97.82
    di(2-ethylhexyl) phthalate 53.56
    ethyl propionate 83.59
    nitromethane 425.18
    1,2-diethoxyethane 154.35
    benzonitrile 148.37
    trioctyl phosphate 33.39
    1-bromopropane 89.26
    gamma-valerolactone 338.52
    n-decanol 44.87
    triethyl phosphate 51.45
    4-methyl-2-pentanol 74.18
    propionitrile 166.28
    vinylene carbonate 151.92
    1,1,2-trichlorotrifluoroethane 228.69
    DMS 86.44
    cumene 43.02
    2-octanol 37.63
    2-hexanone 107.73
    octyl acetate 53.91
    limonene 41.42
    1,2-dimethoxyethane 488.56
    ethyl orthosilicate 49.73
    tributyl phosphate 48.22
    diacetone alcohol 159.58
    N,N-dimethylaniline 128.96
    acrylonitrile 202.47
    aniline 114.72
    1,3-propanediol 300.43
    bromobenzene 65.25
    dibromomethane 148.74
    1,1,2,2-tetrachloroethane 203.13
    2-methyl-cyclohexyl acetate 73.89
    tetrabutyl urea 69.26
    diisobutyl methanol 40.15
    2-phenylethanol 100.04
    styrene 70.33
    dioctyl adipate 73.59
    dimethyl sulfate 112.36
    ethyl butyrate 75.92
    methyl lactate 91.49
    butyl lactate 64.05
    diethyl carbonate 66.52
    propanediol butyl ether 139.29
    triethyl orthoformate 60.05
    p-tert-butyltoluene 27.38
    methyl 4-tert-butylbenzoate 101.73
    morpholine 410.14
    tert-butylamine 201.54
    n-dodecanol 35.55
    dimethoxymethane 218.47
    ethylene carbonate 119.32
    cyrene 137.28
    2-ethoxyethyl acetate 99.47
    2-ethylhexyl acetate 70.86
    1,2,4-trichlorobenzene 97.41
    4-methylpyridine 255.43
    dibutyl ether 70.65
    2,6-dimethyl-4-heptanol 40.15
    DEF 214.48
    dimethyl isosorbide 196.37
    tetrachloroethylene 119.61
    eugenol 114.33
    triacetin 117.09
    span 80 113.05
    1,4-butanediol 136.63
    1,1-dichloroethane 135.51
    2-methyl-1-pentanol 161.5
    methyl formate 207.57
    2-methyl-1-butanol 178.05
    n-decane 8.19
    butyronitrile 181.42
    3,7-dimethyl-1-octanol 75.59
    1-chlorooctane 32.65
    1-chlorotetradecane 16.22
    n-nonane 7.29
    undecane 6.53
    tert-butylcyclohexane 13.25
    cyclooctane 3.55
    cyclopentanol 137.35
    tetrahydropyran 204.03
    tert-amyl methyl ether 146.12
    2,5,8-trioxanonane 274.07
    1-hexene 53.39
    2-isopropoxyethanol 194.39
    2,2,2-trifluoroethanol 124.77
    methyl butyrate 137.19

    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 0.04%