2-(2,4-Dihydroxyphenyl)-8-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    134955-27-4

    Molecular formula
    C25H26O6

    SMILES
    CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=C(C=C(C=C3)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 38.71%
    Fruity 35.39%
    Spicy 34.9%
    Odorless 33.81%
    Woody 28.56%
    Dry 23.24%
    Burnt 22.82%
    Animal 22.56%
    Balsamic 22.43%
    Smoky 20.58%

     

    Flavor
    Bitter 82.44%
    Cedarleaf 20.5%
    Lovage 20.11%
    Parsley 19.93%
    Odorless 19.81%
    Nitrile 19.2%
    Thymol 19.04%
    Heather 18.96%
    Oriental 18.77%
    Broom 18.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    10.71 (weak base)

    Molecular weight
    422.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    922°C

    Flash point

    • 257.71 ˚C est.

  • Synonyms

    • 134955-27-4
    • 2-(2,4-Dihydroxyphenyl)-8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 2-(2,4-Dihydroxyphenyl)-8-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • RefChem:250150
    • DTXSID501114130
    • 2-(2,4-Dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 134955-27-4

  • Applications

    The chemical name 2-(2,4-Dihydroxyphenyl)-8-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one (CAS 134955-27-4) has real-world applications across several industries, including as an antioxidant additive in cosmetics and personal care; as a stabilizer for polymers and plastics to improve longevity; as a component in coatings, paints, and inks for antioxidant protection and color contribution; as a candidate in perfumery as a fragrance ingredient or fixative; and as an intermediate or building block in pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.26
    methanol 1.96
    isopropanol 0.83
    water 0.0
    ethyl acetate 0.72
    n-propanol 1.69
    acetone 2.93
    n-butanol 0.89
    acetonitrile 0.83
    DMF 32.09
    toluene 0.18
    isobutanol 0.86
    1,4-dioxane 6.31
    methyl acetate 2.42
    THF 20.47
    2-butanone 3.86
    n-pentanol 1.15
    sec-butanol 1.02
    n-hexane 0.01
    ethylene glycol 2.73
    NMP 37.89
    cyclohexane 0.01
    DMSO 91.19
    n-butyl acetate 1.09
    n-octanol 0.5
    chloroform 0.44
    n-propyl acetate 1.38
    acetic acid 10.06
    dichloromethane 0.48
    cyclohexanone 4.32
    propylene glycol 10.42
    isopropyl acetate 0.64
    DMAc 46.71
    2-ethoxyethanol 14.21
    isopentanol 0.71
    n-heptane 0.01
    ethyl formate 1.16
    1,2-dichloroethane 0.5
    n-hexanol 0.5
    2-methoxyethanol 30.92
    isobutyl acetate 1.03
    tetrachloromethane 0.04
    n-pentyl acetate 1.46
    transcutol 110.71
    n-heptanol 0.59
    ethylbenzene 0.09
    MIBK 0.96
    2-propoxyethanol 16.0
    tert-butanol 1.04
    MTBE 0.46
    2-butoxyethanol 8.29
    propionic acid 4.44
    o-xylene 0.1
    formic acid 6.07
    diethyl ether 0.27
    m-xylene 0.11
    p-xylene 0.17
    chlorobenzene 0.25
    dimethyl carbonate 2.38
    n-octane 0.01
    formamide 8.39
    cyclopentanone 13.07
    2-pentanone 1.37
    anisole 1.0
    cyclopentyl methyl ether 1.27
    gamma-butyrolactone 18.54
    1-methoxy-2-propanol 21.19
    pyridine 4.48
    3-pentanone 1.04
    furfural 15.79
    n-dodecane 0.01
    diethylene glycol 18.04
    diisopropyl ether 0.07
    tert-amyl alcohol 1.04
    acetylacetone 4.39
    n-hexadecane 0.01
    acetophenone 1.95
    methyl propionate 2.0
    isopentyl acetate 1.4
    trichloroethylene 2.05
    n-nonanol 0.6
    cyclohexanol 0.61
    benzyl alcohol 1.86
    2-ethylhexanol 0.33
    isooctanol 0.56
    dipropyl ether 0.55
    1,2-dichlorobenzene 0.25
    ethyl lactate 3.16
    propylene carbonate 4.09
    n-methylformamide 9.52
    2-pentanol 0.38
    n-pentane 0.01
    1-propoxy-2-propanol 10.06
    1-methoxy-2-propyl acetate 5.83
    2-(2-methoxypropoxy) propanol 16.3
    mesitylene 0.06
    ε-caprolactone 5.13
    p-cymene 0.11
    epichlorohydrin 18.17
    1,1,1-trichloroethane 0.23
    2-aminoethanol 6.11
    morpholine-4-carbaldehyde 46.97
    sulfolane 64.21
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.0
    n-hexyl acetate 1.86
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 22.54
    sec-butyl acetate 0.72
    tert-butyl acetate 1.36
    decalin 0.01
    glycerin 29.73
    diglyme 37.33
    acrylic acid 7.26
    isopropyl myristate 0.68
    n-butyric acid 2.62
    acetyl acetate 0.8
    di(2-ethylhexyl) phthalate 1.84
    ethyl propionate 0.95
    nitromethane 23.53
    1,2-diethoxyethane 5.3
    benzonitrile 0.98
    trioctyl phosphate 0.92
    1-bromopropane 0.13
    gamma-valerolactone 52.34
    n-decanol 0.4
    triethyl phosphate 1.07
    4-methyl-2-pentanol 0.29
    propionitrile 0.79
    vinylene carbonate 3.94
    1,1,2-trichlorotrifluoroethane 30.39
    DMS 3.78
    cumene 0.08
    2-octanol 0.3
    2-hexanone 1.91
    octyl acetate 1.07
    limonene 0.12
    1,2-dimethoxyethane 15.74
    ethyl orthosilicate 0.97
    tributyl phosphate 1.26
    diacetone alcohol 6.9
    N,N-dimethylaniline 0.74
    acrylonitrile 2.05
    aniline 0.83
    1,3-propanediol 6.45
    bromobenzene 0.18
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 1.84
    2-methyl-cyclohexyl acetate 1.68
    tetrabutyl urea 2.27
    diisobutyl methanol 0.28
    2-phenylethanol 1.53
    styrene 0.12
    dioctyl adipate 2.32
    dimethyl sulfate 8.13
    ethyl butyrate 0.98
    methyl lactate 7.74
    butyl lactate 4.69
    diethyl carbonate 0.75
    propanediol butyl ether 15.0
    triethyl orthoformate 1.51
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 4.91
    morpholine 12.04
    tert-butylamine 0.2
    n-dodecanol 0.26
    dimethoxymethane 9.53
    ethylene carbonate 2.16
    cyrene 18.56
    2-ethoxyethyl acetate 6.14
    2-ethylhexyl acetate 0.92
    1,2,4-trichlorobenzene 0.67
    4-methylpyridine 2.03
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.28
    DEF 2.88
    dimethyl isosorbide 28.96
    tetrachloroethylene 0.63
    eugenol 6.95
    triacetin 7.56
    span 80 10.28
    1,4-butanediol 2.52
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.96
    methyl formate 6.59
    2-methyl-1-butanol 0.82
    n-decane 0.01
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.67
    tetrahydropyran 1.44
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 27.31
    1-hexene 0.05
    2-isopropoxyethanol 7.01
    2,2,2-trifluoroethanol 2.25
    methyl butyrate 1.57

    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