Eutypine

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  • Identifiers

    CAS number
    121007-17-8

    Molecular formula
    C12H10O2

    SMILES
    CC(=C)C#CC1=C(C=CC(=C1)C=O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 62.33%
    Spicy 57.58%
    Herbal 35.34%
    Phenolic 33.31%
    Bitter 31.41%
    Floral 31.39%
    Woody 30.86%
    Warm 29.68%
    Cinnamon 29.06%
    Vanilla 28.89%

     

    Flavor
    Bitter 80.52%
    Odorless 26.57%
    Nitrile 21.54%
    Bread crust 19.38%
    Lovage 19.03%
    Oriental 18.95%
    Basil 18.72%
    Cedarleaf 18.68%
    Very strong 18.67%
    Taco 18.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.94 (neutral)

    Molecular weight
    186.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point

    • 160.53 ˚C est.

  • Synonyms

    • Eutypine
    • 121007-17-8
    • 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde
    • 4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde
    • DTXSID60153107
    • RefChem:139653
    • DTXCID8075598
    • 4-hydroxy-3-(3-methyl-3-butene-1-ynyl) benzyl aldehyde
    • CHEMBL501128
    • 4-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
    • C08448
    • AC1L2VEO
    • SCHEMBL272100
    • Benzaldehyde, 4-hydroxy-3-(3-methyl-3-buten-1-ynyl)-
    • 4-hydroxy-3-(3-methyl-3-butene-1-ynyl) benzaldehyde
    • 121007-17-8

  • Applications

    Eutypine (CAS 121007-17-8) is a phytotoxin produced by Eutypa lata and related fungi, and its applications are mainly in plant pathology research and analytical chemistry. In agriculture and plant science, it is used as a model toxin to understand grapevine trunk disease and host–pathogen interactions, as well as to assess plant responses to the pathogen. In analytical chemistry, eutypine serves as a reference compound for developing and validating LC-MS and HPLC methods to profile fungal metabolites in plant tissues or fungal cultures. It is also used as a tool in the development of detection methods and sensors to monitor fungal toxin presence in crops. In natural product chemistry and chemical biology, eutypine is employed as a representative molecule for structure–activity studies and toxin–plant cell interactions. Overall, its real-world applications are mainly research-oriented, with uses limited by regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.18
    methanol 143.59
    isopropanol 68.93
    water 0.23
    ethyl acetate 167.07
    n-propanol 71.04
    acetone 259.97
    n-butanol 61.67
    acetonitrile 107.68
    DMF 361.52
    toluene 21.28
    isobutanol 44.53
    1,4-dioxane 135.31
    methyl acetate 194.4
    THF 263.12
    2-butanone 219.49
    n-pentanol 51.24
    sec-butanol 52.33
    n-hexane 0.5
    ethylene glycol 41.06
    NMP 167.42
    cyclohexane 0.65
    DMSO 215.97
    n-butyl acetate 99.13
    n-octanol 32.65
    chloroform 65.18
    n-propyl acetate 106.84
    acetic acid 148.6
    dichloromethane 77.79
    cyclohexanone 141.49
    propylene glycol 58.59
    isopropyl acetate 88.47
    DMAc 302.84
    2-ethoxyethanol 126.68
    isopentanol 60.01
    n-heptane 1.29
    ethyl formate 104.52
    1,2-dichloroethane 65.58
    n-hexanol 55.25
    2-methoxyethanol 224.56
    isobutyl acetate 71.61
    tetrachloromethane 3.94
    n-pentyl acetate 51.4
    transcutol 406.92
    n-heptanol 33.44
    ethylbenzene 19.27
    MIBK 84.7
    2-propoxyethanol 124.28
    tert-butanol 96.97
    MTBE 62.03
    2-butoxyethanol 79.95
    propionic acid 89.27
    o-xylene 17.08
    formic acid 84.04
    diethyl ether 49.93
    m-xylene 21.11
    p-xylene 24.72
    chlorobenzene 34.97
    dimethyl carbonate 78.22
    n-octane 0.9
    formamide 185.81
    cyclopentanone 235.45
    2-pentanone 145.81
    anisole 84.92
    cyclopentyl methyl ether 67.53
    gamma-butyrolactone 233.13
    1-methoxy-2-propanol 160.25
    pyridine 120.77
    3-pentanone 84.93
    furfural 212.3
    n-dodecane 1.58
    diethylene glycol 120.03
    diisopropyl ether 14.06
    tert-amyl alcohol 72.88
    acetylacetone 182.75
    n-hexadecane 1.75
    acetophenone 90.89
    methyl propionate 129.16
    isopentyl acetate 85.2
    trichloroethylene 165.41
    n-nonanol 30.52
    cyclohexanol 35.43
    benzyl alcohol 69.97
    2-ethylhexanol 35.06
    isooctanol 29.79
    dipropyl ether 33.08
    1,2-dichlorobenzene 34.67
    ethyl lactate 62.58
    propylene carbonate 124.21
    n-methylformamide 180.0
    2-pentanol 41.28
    n-pentane 0.39
    1-propoxy-2-propanol 86.43
    1-methoxy-2-propyl acetate 111.59
    2-(2-methoxypropoxy) propanol 95.23
    mesitylene 12.5
    ε-caprolactone 123.57
    p-cymene 15.55
    epichlorohydrin 250.66
    1,1,1-trichloroethane 38.3
    2-aminoethanol 62.4
    morpholine-4-carbaldehyde 201.65
    sulfolane 187.04
    2,2,4-trimethylpentane 1.21
    2-methyltetrahydrofuran 123.01
    n-hexyl acetate 70.35
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 122.38
    sec-butyl acetate 71.35
    tert-butyl acetate 97.21
    decalin 1.76
    glycerin 88.57
    diglyme 232.22
    acrylic acid 88.47
    isopropyl myristate 30.73
    n-butyric acid 109.09
    acetyl acetate 94.92
    di(2-ethylhexyl) phthalate 33.68
    ethyl propionate 80.32
    nitromethane 334.21
    1,2-diethoxyethane 92.97
    benzonitrile 72.02
    trioctyl phosphate 24.93
    1-bromopropane 20.24
    gamma-valerolactone 260.86
    n-decanol 23.53
    triethyl phosphate 37.23
    4-methyl-2-pentanol 33.1
    propionitrile 79.84
    vinylene carbonate 114.01
    1,1,2-trichlorotrifluoroethane 158.96
    DMS 78.05
    cumene 16.0
    2-octanol 22.78
    2-hexanone 103.62
    octyl acetate 39.06
    limonene 20.43
    1,2-dimethoxyethane 200.41
    ethyl orthosilicate 33.0
    tributyl phosphate 29.34
    diacetone alcohol 141.34
    N,N-dimethylaniline 52.18
    acrylonitrile 126.3
    aniline 49.11
    1,3-propanediol 96.18
    bromobenzene 25.95
    dibromomethane 31.08
    1,1,2,2-tetrachloroethane 98.63
    2-methyl-cyclohexyl acetate 56.26
    tetrabutyl urea 40.58
    diisobutyl methanol 23.38
    2-phenylethanol 63.61
    styrene 23.23
    dioctyl adipate 51.65
    dimethyl sulfate 101.64
    ethyl butyrate 72.88
    methyl lactate 80.97
    butyl lactate 51.38
    diethyl carbonate 53.3
    propanediol butyl ether 82.27
    triethyl orthoformate 47.19
    p-tert-butyltoluene 15.63
    methyl 4-tert-butylbenzoate 73.0
    morpholine 171.03
    tert-butylamine 34.75
    n-dodecanol 18.02
    dimethoxymethane 180.86
    ethylene carbonate 84.55
    cyrene 94.78
    2-ethoxyethyl acetate 90.12
    2-ethylhexyl acetate 61.42
    1,2,4-trichlorobenzene 45.31
    4-methylpyridine 105.86
    dibutyl ether 33.65
    2,6-dimethyl-4-heptanol 23.38
    DEF 116.28
    dimethyl isosorbide 140.52
    tetrachloroethylene 49.73
    eugenol 78.59
    triacetin 93.22
    span 80 66.2
    1,4-butanediol 37.63
    1,1-dichloroethane 52.25
    2-methyl-1-pentanol 50.96
    methyl formate 166.69
    2-methyl-1-butanol 47.76
    n-decane 2.2
    butyronitrile 74.93
    3,7-dimethyl-1-octanol 32.81
    1-chlorooctane 14.1
    1-chlorotetradecane 6.51
    n-nonane 1.7
    undecane 1.85
    tert-butylcyclohexane 2.54
    cyclooctane 0.35
    cyclopentanol 47.08
    tetrahydropyran 89.84
    tert-amyl methyl ether 45.79
    2,5,8-trioxanonane 157.1
    1-hexene 7.57
    2-isopropoxyethanol 88.14
    2,2,2-trifluoroethanol 51.74
    methyl butyrate 107.53

    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