Epi-dihydrophaseic acid

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  • Identifiers

    CAS number
    60102-38-7

    Molecular formula
    C15H22O5

    SMILES
    C/C(=C/C(=O)O)/C=C/[C@@]1([C@@]2(C[C@H](C[C@]1(OC2)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 36.02%
    Odorless 33.63%
    Floral 33.09%
    Sweet 30.94%
    Mint 23.57%
    Spicy 22.34%
    Dry 22.0%
    Fruity 21.8%
    Citrus 20.37%
    Fresh 20.07%

     

    Flavor
    Bitter 38.9%
    Odorless 24.17%
    Fruity 22.42%
    Leaves 19.88%
    Cotton candy 19.55%
    Seedy 19.45%
    Extremely sweet 19.43%
    Cedarleaf 19.34%
    Ripe apricot 19.21%
    Maple syrup 18.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.64 (neutral)

    Molecular weight
    282.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    715°C

    Flash point

    • 229.89 ˚C est.

  • Synonyms

    • epi-dihydrophaseic acid
    • CHEBI:23926
    • (2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid
    • (2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
    • 60102-38-7
    • (2Z,4E)-5-((1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo(3.2.1)oct-8-yl)-3-methylpenta-2,4-dienoic acid
    • (2Z,4E)-5-((1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo(3.2.1)octan-8-yl)-3-methylpenta-2,4-dienoic acid
    • RefChem:137119
    • SCHEMBL15021965
    • DTXSID501314033
    • LMPR0103050007
    • Q27109823
    • 60102-38-7

  • Applications

    Epi-dihydrophaseic acid (CAS 60102-38-7) is a jasmonate catabolite used primarily in plant science research; common applications include studying jasmonic acid signaling and plant defense responses in crops, serving as a reference standard or internal control for LC-MS/MS and GC-MS analyses of jasmonate metabolites, profiling plant hormone networks and conducting metabolomics to understand stress physiology, and monitoring jasmonate turnover under biotic and abiotic stresses in agricultural studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.14
    methanol 516.21
    isopropanol 86.85
    water 16.71
    ethyl acetate 40.8
    n-propanol 92.77
    acetone 166.15
    n-butanol 66.95
    acetonitrile 52.42
    DMF 643.7
    toluene 11.45
    isobutanol 37.91
    1,4-dioxane 189.92
    methyl acetate 31.44
    THF 485.42
    2-butanone 46.82
    n-pentanol 44.07
    sec-butanol 30.9
    n-hexane 0.7
    ethylene glycol 112.6
    NMP 122.63
    cyclohexane 1.51
    DMSO 455.51
    n-butyl acetate 15.82
    n-octanol 22.04
    chloroform 48.63
    n-propyl acetate 23.78
    acetic acid 129.55
    dichloromethane 52.26
    cyclohexanone 72.26
    propylene glycol 94.49
    isopropyl acetate 28.88
    DMAc 195.3
    2-ethoxyethanol 221.87
    isopentanol 43.88
    n-heptane 0.89
    ethyl formate 49.9
    1,2-dichloroethane 27.69
    n-hexanol 35.59
    2-methoxyethanol 499.38
    isobutyl acetate 16.03
    tetrachloromethane 5.83
    n-pentyl acetate 17.33
    transcutol 168.59
    n-heptanol 24.23
    ethylbenzene 6.08
    MIBK 43.57
    2-propoxyethanol 179.17
    tert-butanol 87.84
    MTBE 17.27
    2-butoxyethanol 74.56
    propionic acid 37.33
    o-xylene 7.56
    formic acid 296.54
    diethyl ether 28.7
    m-xylene 12.33
    p-xylene 8.24
    chlorobenzene 10.81
    dimethyl carbonate 43.87
    n-octane 0.74
    formamide 399.3
    cyclopentanone 144.73
    2-pentanone 59.81
    anisole 27.5
    cyclopentyl methyl ether 52.6
    gamma-butyrolactone 135.06
    1-methoxy-2-propanol 324.61
    pyridine 54.59
    3-pentanone 24.89
    furfural 118.4
    n-dodecane 0.66
    diethylene glycol 220.06
    diisopropyl ether 6.86
    tert-amyl alcohol 31.52
    acetylacetone 91.81
    n-hexadecane 0.75
    acetophenone 31.13
    methyl propionate 42.62
    isopentyl acetate 16.06
    trichloroethylene 54.9
    n-nonanol 21.09
    cyclohexanol 29.2
    benzyl alcohol 45.9
    2-ethylhexanol 12.56
    isooctanol 17.59
    dipropyl ether 13.87
    1,2-dichlorobenzene 10.85
    ethyl lactate 33.82
    propylene carbonate 49.88
    n-methylformamide 309.24
    2-pentanol 27.33
    n-pentane 0.79
    1-propoxy-2-propanol 78.74
    1-methoxy-2-propyl acetate 45.28
    2-(2-methoxypropoxy) propanol 53.3
    mesitylene 7.59
    ε-caprolactone 52.25
    p-cymene 4.88
    epichlorohydrin 145.22
    1,1,1-trichloroethane 14.29
    2-aminoethanol 181.4
    morpholine-4-carbaldehyde 205.44
    sulfolane 137.97
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 67.79
    n-hexyl acetate 23.72
    isooctane 0.72
    2-(2-butoxyethoxy)ethanol 83.45
    sec-butyl acetate 13.75
    tert-butyl acetate 35.62
    decalin 0.9
    glycerin 189.92
    diglyme 135.65
    acrylic acid 44.8
    isopropyl myristate 9.6
    n-butyric acid 59.97
    acetyl acetate 29.05
    di(2-ethylhexyl) phthalate 14.56
    ethyl propionate 21.79
    nitromethane 252.73
    1,2-diethoxyethane 33.69
    benzonitrile 27.82
    trioctyl phosphate 11.77
    1-bromopropane 9.2
    gamma-valerolactone 231.46
    n-decanol 14.46
    triethyl phosphate 11.4
    4-methyl-2-pentanol 20.77
    propionitrile 28.51
    vinylene carbonate 51.37
    1,1,2-trichlorotrifluoroethane 105.14
    DMS 19.52
    cumene 4.76
    2-octanol 14.38
    2-hexanone 29.82
    octyl acetate 13.86
    limonene 5.64
    1,2-dimethoxyethane 234.17
    ethyl orthosilicate 11.16
    tributyl phosphate 10.97
    diacetone alcohol 88.43
    N,N-dimethylaniline 21.91
    acrylonitrile 48.12
    aniline 28.45
    1,3-propanediol 203.81
    bromobenzene 7.9
    dibromomethane 22.85
    1,1,2,2-tetrachloroethane 42.39
    2-methyl-cyclohexyl acetate 17.62
    tetrabutyl urea 20.5
    diisobutyl methanol 9.48
    2-phenylethanol 36.8
    styrene 6.73
    dioctyl adipate 15.92
    dimethyl sulfate 68.31
    ethyl butyrate 14.96
    methyl lactate 65.32
    butyl lactate 26.1
    diethyl carbonate 10.43
    propanediol butyl ether 69.18
    triethyl orthoformate 13.91
    p-tert-butyltoluene 5.03
    methyl 4-tert-butylbenzoate 31.24
    morpholine 228.27
    tert-butylamine 23.09
    n-dodecanol 9.88
    dimethoxymethane 388.27
    ethylene carbonate 42.37
    cyrene 73.84
    2-ethoxyethyl acetate 31.88
    2-ethylhexyl acetate 10.52
    1,2,4-trichlorobenzene 12.91
    4-methylpyridine 44.17
    dibutyl ether 10.31
    2,6-dimethyl-4-heptanol 9.48
    DEF 59.75
    dimethyl isosorbide 85.28
    tetrachloroethylene 27.39
    eugenol 44.72
    triacetin 27.16
    span 80 41.39
    1,4-butanediol 89.61
    1,1-dichloroethane 17.43
    2-methyl-1-pentanol 24.81
    methyl formate 225.01
    2-methyl-1-butanol 27.08
    n-decane 1.25
    butyronitrile 36.87
    3,7-dimethyl-1-octanol 15.99
    1-chlorooctane 5.58
    1-chlorotetradecane 2.26
    n-nonane 1.08
    undecane 0.88
    tert-butylcyclohexane 0.83
    cyclooctane 0.73
    cyclopentanol 50.6
    tetrahydropyran 64.68
    tert-amyl methyl ether 13.53
    2,5,8-trioxanonane 100.35
    1-hexene 3.55
    2-isopropoxyethanol 91.03
    2,2,2-trifluoroethanol 60.1
    methyl butyrate 32.62

    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