Acetonyl-Isopren

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  • Identifiers

    CAS number
    53370-68-6

    Molecular formula
    C8H12O

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

  • Odor profile

    Fruity 74.85%
    Green 73.87%
    Herbal 56.93%
    Spicy 48.3%
    Sweet 43.31%
    Earthy 42.64%
    Fresh 41.31%
    Vegetable 40.54%
    Tropical 40.42%
    Fatty 39.96%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.59 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point est.
    59.92 ˚C

  • Synonyms

    • Acetonyl-Isopren

  • Applications

    Acetonyl‑Isopren (CAS 53370‑68‑6) is an unsaturated, isoprenyl‑bearing ketone broadly used as a versatile intermediate and synthetic building block: a precursor to terpenoid derivatives, flavor and fragrance ingredients, and pharmaceutical/agrochemical intermediates; it participates in hallmark transformations such as Michael‑type conjugate additions, aldol condensations, controlled reductions/oxidations, and selective functionalizations to access alcohols, acids, or cyclized products; it enables installation of isoprenyl character and carbon‑chain extension for late‑stage diversification; it forms oxime/hydrazone derivatives for purification, storage, and analysis; and in materials science it serves as a feedstock for functional oligomers/polymers and specialty coatings, and is routinely employed in R&D, catalyst screening, and process development toward scale‑up.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.05
    methanol 538.34
    isopropanol 330.97
    water 10.44
    ethyl acetate 226.85
    n-propanol 299.24
    acetone 269.65
    n-butanol 314.69
    acetonitrile 235.85
    DMF 349.3
    toluene 82.51
    isobutanol 207.77
    1,4-dioxane 591.46
    methyl acetate 214.58
    THF 685.58
    2-butanone 207.24
    n-pentanol 214.91
    sec-butanol 260.16
    n-hexane 77.32
    ethylene glycol 140.5
    NMP 410.27
    cyclohexane 86.81
    DMSO 256.66
    n-butyl acetate 200.01
    n-octanol 205.4
    chloroform 412.42
    n-propyl acetate 136.38
    acetic acid 397.27
    dichloromethane 308.51
    cyclohexanone 318.32
    propylene glycol 201.87
    isopropyl acetate 140.62
    DMAc 365.72
    2-ethoxyethanol 282.04
    isopentanol 231.88
    n-heptane 81.34
    ethyl formate 154.86
    1,2-dichloroethane 147.35
    n-hexanol 330.68
    2-methoxyethanol 471.18
    isobutyl acetate 98.44
    tetrachloromethane 77.21
    n-pentyl acetate 127.95
    transcutol 1029.23
    n-heptanol 151.09
    ethylbenzene 67.49
    MIBK 124.62
    2-propoxyethanol 431.9
    tert-butanol 360.74
    MTBE 231.19
    2-butoxyethanol 224.29
    propionic acid 258.33
    o-xylene 78.23
    formic acid 157.25
    diethyl ether 244.75
    m-xylene 74.67
    p-xylene 84.41
    chlorobenzene 100.68
    dimethyl carbonate 85.82
    n-octane 26.49
    formamide 158.7
    cyclopentanone 319.47
    2-pentanone 185.64
    anisole 165.67
    cyclopentyl methyl ether 285.41
    gamma-butyrolactone 354.79
    1-methoxy-2-propanol 340.33
    pyridine 215.54
    3-pentanone 141.68
    furfural 297.54
    n-dodecane 25.19
    diethylene glycol 323.6
    diisopropyl ether 86.74
    tert-amyl alcohol 284.87
    acetylacetone 190.72
    n-hexadecane 26.89
    acetophenone 136.51
    methyl propionate 172.21
    isopentyl acetate 172.36
    trichloroethylene 263.1
    n-nonanol 175.37
    cyclohexanol 265.37
    benzyl alcohol 134.72
    2-ethylhexanol 197.16
    isooctanol 109.42
    dipropyl ether 203.41
    1,2-dichlorobenzene 100.72
    ethyl lactate 102.54
    propylene carbonate 226.07
    n-methylformamide 185.89
    2-pentanol 205.39
    n-pentane 72.0
    1-propoxy-2-propanol 312.15
    1-methoxy-2-propyl acetate 211.26
    2-(2-methoxypropoxy) propanol 279.58
    mesitylene 52.85
    ε-caprolactone 307.46
    p-cymene 75.87
    epichlorohydrin 309.77
    1,1,1-trichloroethane 175.18
    2-aminoethanol 242.12
    morpholine-4-carbaldehyde 507.61
    sulfolane 320.69
    2,2,4-trimethylpentane 33.21
    2-methyltetrahydrofuran 453.61
    n-hexyl acetate 247.73
    isooctane 24.42
    2-(2-butoxyethoxy)ethanol 379.7
    sec-butyl acetate 104.34
    tert-butyl acetate 152.49
    decalin 47.0
    glycerin 243.11
    diglyme 521.68
    acrylic acid 204.48
    isopropyl myristate 109.5
    n-butyric acid 310.76
    acetyl acetate 158.96
    di(2-ethylhexyl) phthalate 110.08
    ethyl propionate 133.87
    nitromethane 351.66
    1,2-diethoxyethane 290.75
    benzonitrile 143.95
    trioctyl phosphate 83.3
    1-bromopropane 129.7
    gamma-valerolactone 461.86
    n-decanol 132.31
    triethyl phosphate 95.92
    4-methyl-2-pentanol 119.67
    propionitrile 168.74
    vinylene carbonate 195.14
    1,1,2-trichlorotrifluoroethane 279.01
    DMS 162.57
    cumene 58.09
    2-octanol 107.98
    2-hexanone 150.58
    octyl acetate 148.42
    limonene 128.39
    1,2-dimethoxyethane 427.55
    ethyl orthosilicate 93.56
    tributyl phosphate 100.2
    diacetone alcohol 205.91
    N,N-dimethylaniline 130.33
    acrylonitrile 163.73
    aniline 132.59
    1,3-propanediol 299.6
    bromobenzene 86.14
    dibromomethane 206.64
    1,1,2,2-tetrachloroethane 244.38
    2-methyl-cyclohexyl acetate 156.11
    tetrabutyl urea 132.06
    diisobutyl methanol 103.15
    2-phenylethanol 171.33
    styrene 79.39
    dioctyl adipate 162.23
    dimethyl sulfate 105.81
    ethyl butyrate 154.69
    methyl lactate 136.65
    butyl lactate 130.56
    diethyl carbonate 117.62
    propanediol butyl ether 276.36
    triethyl orthoformate 131.25
    p-tert-butyltoluene 73.92
    methyl 4-tert-butylbenzoate 171.63
    morpholine 608.95
    tert-butylamine 255.44
    n-dodecanol 105.95
    dimethoxymethane 255.88
    ethylene carbonate 171.99
    cyrene 194.77
    2-ethoxyethyl acetate 178.82
    2-ethylhexyl acetate 142.23
    1,2,4-trichlorobenzene 130.53
    4-methylpyridine 210.31
    dibutyl ether 206.7
    2,6-dimethyl-4-heptanol 103.15
    DEF 235.69
    dimethyl isosorbide 386.51
    tetrachloroethylene 159.28
    eugenol 166.45
    triacetin 235.43
    span 80 282.61
    1,4-butanediol 131.93
    1,1-dichloroethane 174.45
    2-methyl-1-pentanol 176.85
    methyl formate 142.08
    2-methyl-1-butanol 212.76
    n-decane 40.61
    butyronitrile 205.25
    3,7-dimethyl-1-octanol 178.99
    1-chlorooctane 104.03
    1-chlorotetradecane 50.28
    n-nonane 40.52
    undecane 31.17
    tert-butylcyclohexane 44.64
    cyclooctane 35.37
    cyclopentanol 261.73
    tetrahydropyran 463.11
    tert-amyl methyl ether 188.65
    2,5,8-trioxanonane 406.93
    1-hexene 143.99
    2-isopropoxyethanol 191.51
    2,2,2-trifluoroethanol 131.17
    methyl butyrate 163.98

    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
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Lemon (Italy-Sicily) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.74%