Acetoxybutene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5238-40-4

    Molecular formula
    C6H10O2

    SMILES
    CCC=COC(=O)C

  • Odor profile

    Fruity 96.73%
    Green 75.33%
    Ethereal 70.51%
    Apple 54.06%
    Rummy 52.82%
    Sweet 51.63%
    Sharp 49.65%
    Fresh 44.9%
    Banana 44.62%
    Pungent 44.46%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.45 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point est.
    35.11 ˚C

  • Synonyms

    • acetoxybutene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.2
    methanol 377.46
    isopropanol 246.86
    water 2.59
    ethyl acetate 126.02
    n-propanol 203.07
    acetone 272.78
    n-butanol 198.07
    acetonitrile 180.76
    DMF 575.62
    toluene 71.31
    isobutanol 154.29
    1,4-dioxane 319.63
    methyl acetate 156.52
    THF 413.1
    2-butanone 163.52
    n-pentanol 130.47
    sec-butanol 195.76
    n-hexane 35.53
    ethylene glycol 101.24
    NMP 565.31
    cyclohexane 51.24
    DMSO 486.87
    n-butyl acetate 109.3
    n-octanol 112.98
    chloroform 432.81
    n-propyl acetate 76.42
    acetic acid 369.75
    dichloromethane 391.0
    cyclohexanone 288.31
    propylene glycol 142.56
    isopropyl acetate 84.72
    DMAc 465.48
    2-ethoxyethanol 156.84
    isopentanol 148.06
    n-heptane 23.48
    ethyl formate 122.65
    1,2-dichloroethane 178.82
    n-hexanol 158.62
    2-methoxyethanol 315.45
    isobutyl acetate 52.97
    tetrachloromethane 52.56
    n-pentyl acetate 85.06
    transcutol 493.16
    n-heptanol 72.53
    ethylbenzene 63.23
    MIBK 88.72
    2-propoxyethanol 215.02
    tert-butanol 281.53
    MTBE 143.32
    2-butoxyethanol 113.65
    propionic acid 220.39
    o-xylene 70.39
    formic acid 112.8
    diethyl ether 119.48
    m-xylene 61.45
    p-xylene 80.84
    chlorobenzene 121.28
    dimethyl carbonate 69.4
    n-octane 12.27
    formamide 126.65
    cyclopentanone 346.19
    2-pentanone 131.62
    anisole 121.27
    cyclopentyl methyl ether 164.94
    gamma-butyrolactone 372.32
    1-methoxy-2-propanol 253.0
    pyridine 225.73
    3-pentanone 105.05
    furfural 367.06
    n-dodecane 15.28
    diethylene glycol 177.11
    diisopropyl ether 41.43
    tert-amyl alcohol 228.3
    acetylacetone 162.39
    n-hexadecane 16.57
    acetophenone 122.06
    methyl propionate 125.31
    isopentyl acetate 101.36
    trichloroethylene 360.04
    n-nonanol 93.75
    cyclohexanol 204.74
    benzyl alcohol 116.23
    2-ethylhexanol 98.22
    isooctanol 60.01
    dipropyl ether 79.45
    1,2-dichlorobenzene 128.25
    ethyl lactate 74.17
    propylene carbonate 204.96
    n-methylformamide 212.35
    2-pentanol 128.85
    n-pentane 32.67
    1-propoxy-2-propanol 165.07
    1-methoxy-2-propyl acetate 117.17
    2-(2-methoxypropoxy) propanol 191.63
    mesitylene 46.12
    ε-caprolactone 233.13
    p-cymene 50.48
    epichlorohydrin 302.28
    1,1,1-trichloroethane 189.26
    2-aminoethanol 161.49
    morpholine-4-carbaldehyde 409.48
    sulfolane 523.58
    2,2,4-trimethylpentane 21.24
    2-methyltetrahydrofuran 270.3
    n-hexyl acetate 164.6
    isooctane 13.87
    2-(2-butoxyethoxy)ethanol 215.65
    sec-butyl acetate 56.77
    tert-butyl acetate 101.81
    decalin 31.16
    glycerin 174.3
    diglyme 294.42
    acrylic acid 218.35
    isopropyl myristate 72.98
    n-butyric acid 242.43
    acetyl acetate 103.27
    di(2-ethylhexyl) phthalate 89.72
    ethyl propionate 83.54
    nitromethane 371.18
    1,2-diethoxyethane 132.79
    benzonitrile 161.28
    trioctyl phosphate 63.91
    1-bromopropane 121.54
    gamma-valerolactone 396.69
    n-decanol 72.38
    triethyl phosphate 67.91
    4-methyl-2-pentanol 73.92
    propionitrile 143.76
    vinylene carbonate 216.36
    1,1,2-trichlorotrifluoroethane 268.92
    DMS 122.49
    cumene 54.37
    2-octanol 61.34
    2-hexanone 99.89
    octyl acetate 98.61
    limonene 82.46
    1,2-dimethoxyethane 272.4
    ethyl orthosilicate 59.96
    tributyl phosphate 78.62
    diacetone alcohol 156.44
    N,N-dimethylaniline 110.94
    acrylonitrile 201.96
    aniline 116.34
    1,3-propanediol 199.25
    bromobenzene 125.26
    dibromomethane 252.68
    1,1,2,2-tetrachloroethane 300.32
    2-methyl-cyclohexyl acetate 101.18
    tetrabutyl urea 109.42
    diisobutyl methanol 56.92
    2-phenylethanol 114.4
    styrene 77.11
    dioctyl adipate 124.27
    dimethyl sulfate 140.05
    ethyl butyrate 90.96
    methyl lactate 114.34
    butyl lactate 89.22
    diethyl carbonate 81.35
    propanediol butyl ether 158.98
    triethyl orthoformate 73.94
    p-tert-butyltoluene 50.98
    methyl 4-tert-butylbenzoate 146.23
    morpholine 351.21
    tert-butylamine 176.09
    n-dodecanol 57.98
    dimethoxymethane 210.81
    ethylene carbonate 150.36
    cyrene 150.67
    2-ethoxyethyl acetate 113.92
    2-ethylhexyl acetate 81.69
    1,2,4-trichlorobenzene 154.61
    4-methylpyridine 228.31
    dibutyl ether 98.66
    2,6-dimethyl-4-heptanol 56.92
    DEF 210.36
    dimethyl isosorbide 247.96
    tetrachloroethylene 177.67
    eugenol 141.39
    triacetin 173.86
    span 80 191.27
    1,4-butanediol 87.59
    1,1-dichloroethane 200.95
    2-methyl-1-pentanol 124.33
    methyl formate 161.89
    2-methyl-1-butanol 148.87
    n-decane 21.08
    butyronitrile 160.79
    3,7-dimethyl-1-octanol 103.5
    1-chlorooctane 65.25
    1-chlorotetradecane 34.02
    n-nonane 20.61
    undecane 17.34
    tert-butylcyclohexane 30.79
    cyclooctane 14.86
    cyclopentanol 237.8
    tetrahydropyran 260.04
    tert-amyl methyl ether 119.51
    2,5,8-trioxanonane 276.19
    1-hexene 91.78
    2-isopropoxyethanol 109.89
    2,2,2-trifluoroethanol 97.7
    methyl butyrate 117.67

    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
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%