Chlorophorin

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  • Identifiers

    CAS number
    537-41-7

    Molecular formula
    C24H28O4

    SMILES
    CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 44.05%
    Fruity 39.64%
    Phenolic 35.82%
    Woody 31.14%
    Odorless 29.26%
    Balsamic 28.07%
    Burnt 21.71%
    Dry 21.26%
    Smoky 20.82%
    Animal 19.88%

     

    Flavor
    Bitter 69.6%
    Woody 20.88%
    Oriental 20.33%
    Cedarleaf 19.97%
    Nitrile 19.94%
    Lovage 19.91%
    Diterpene 19.68%
    Parsley 19.57%
    Thymol 19.44%
    Low 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    11.85 (strong base)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    669°C

    Flash point

    • 246.07 ˚C est.

  • Synonyms

    • Chlorophorin
    • 537-41-7
    • 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
    • DTXSID101318069
    • 5-((E)-2-(2,4-dihydroxyphenyl)ethenyl)-2-((2E)-3,7-dimethylocta-2,6-dienyl)benzene-1,3-diol
    • RefChem:125481
    • DTXCID101747860
    • SCHEMBL675663
    • CHEBI:3629
    • orb1682952
    • CHEMBL2227759
    • HY-N7587
    • LMPK13090008
    • AKOS040761493
    • FS-7668
    • DA-51856
    • CS-0134321
    • 4-geranyl-2',3,4',5-tetrahydroxy-trans-stilbene
    • Q27106154
    • 1,3-Benzenediol, 5-(2-(2,4-dihydroxyphenyl)ethenyl)-2-(3,7-dimethyl-2,6-octadienyl)-, (E,E)-
    • 5-[(E)-2-(2,4-Dihydroxyphenyl)ethenyl]-2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,3-diol
    • 537-41-7

  • Applications

    Chlorophorin (CAS 537-41-7) may be used as an intermediate in the synthesis of specialty chemicals; it may function as a solvent or processing aid in various industrial manufacturing steps; in coatings and inks, it may serve as an additive to influence properties and performance of the formulations; it is evaluated for use in polymers/plastics formulations as a processing aid or compatibilizer; and it may appear in cleaning formulations as a solvent component subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.14
    methanol 53.16
    isopropanol 12.85
    water 0.01
    ethyl acetate 16.29
    n-propanol 24.2
    acetone 37.82
    n-butanol 17.6
    acetonitrile 6.15
    DMF 32.66
    toluene 2.59
    isobutanol 7.95
    1,4-dioxane 65.87
    methyl acetate 15.55
    THF 288.06
    2-butanone 37.35
    n-pentanol 14.89
    sec-butanol 12.59
    n-hexane 0.13
    ethylene glycol 2.27
    NMP 13.5
    cyclohexane 0.17
    DMSO 130.76
    n-butyl acetate 7.92
    n-octanol 7.27
    chloroform 6.18
    n-propyl acetate 8.7
    acetic acid 30.89
    dichloromethane 4.14
    cyclohexanone 23.84
    propylene glycol 17.07
    isopropyl acetate 10.69
    DMAc 59.1
    2-ethoxyethanol 66.62
    isopentanol 11.24
    n-heptane 0.2
    ethyl formate 9.39
    1,2-dichloroethane 4.56
    n-hexanol 8.64
    2-methoxyethanol 140.15
    isobutyl acetate 5.68
    tetrachloromethane 0.62
    n-pentyl acetate 10.7
    transcutol 302.32
    n-heptanol 7.9
    ethylbenzene 1.26
    MIBK 12.82
    2-propoxyethanol 69.59
    tert-butanol 19.49
    MTBE 13.64
    2-butoxyethanol 39.0
    propionic acid 12.34
    o-xylene 1.21
    formic acid 9.29
    diethyl ether 10.39
    m-xylene 1.62
    p-xylene 1.5
    chlorobenzene 2.15
    dimethyl carbonate 7.41
    n-octane 0.13
    formamide 23.4
    cyclopentanone 44.56
    2-pentanone 21.5
    anisole 11.09
    cyclopentyl methyl ether 15.48
    gamma-butyrolactone 35.17
    1-methoxy-2-propanol 103.57
    pyridine 21.74
    3-pentanone 10.68
    furfural 24.59
    n-dodecane 0.14
    diethylene glycol 30.11
    diisopropyl ether 1.74
    tert-amyl alcohol 16.77
    acetylacetone 39.79
    n-hexadecane 0.16
    acetophenone 9.37
    methyl propionate 14.41
    isopentyl acetate 9.99
    trichloroethylene 12.3
    n-nonanol 8.18
    cyclohexanol 5.92
    benzyl alcohol 9.63
    2-ethylhexanol 4.21
    isooctanol 6.24
    dipropyl ether 7.91
    1,2-dichlorobenzene 1.95
    ethyl lactate 8.27
    propylene carbonate 10.25
    n-methylformamide 17.4
    2-pentanol 7.19
    n-pentane 0.11
    1-propoxy-2-propanol 46.77
    1-methoxy-2-propyl acetate 28.91
    2-(2-methoxypropoxy) propanol 45.84
    mesitylene 0.91
    ε-caprolactone 19.86
    p-cymene 1.1
    epichlorohydrin 73.71
    1,1,1-trichloroethane 3.3
    2-aminoethanol 13.42
    morpholine-4-carbaldehyde 38.28
    sulfolane 46.72
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 35.9
    n-hexyl acetate 15.16
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 79.62
    sec-butyl acetate 6.25
    tert-butyl acetate 19.76
    decalin 0.14
    glycerin 23.56
    diglyme 128.34
    acrylic acid 10.14
    isopropyl myristate 6.16
    n-butyric acid 21.09
    acetyl acetate 9.35
    di(2-ethylhexyl) phthalate 7.12
    ethyl propionate 8.08
    nitromethane 53.77
    1,2-diethoxyethane 45.85
    benzonitrile 4.28
    trioctyl phosphate 4.41
    1-bromopropane 1.94
    gamma-valerolactone 91.36
    n-decanol 5.09
    triethyl phosphate 4.81
    4-methyl-2-pentanol 4.98
    propionitrile 6.12
    vinylene carbonate 8.34
    1,1,2-trichlorotrifluoroethane 41.78
    DMS 8.4
    cumene 0.97
    2-octanol 4.5
    2-hexanone 14.11
    octyl acetate 8.4
    limonene 1.45
    1,2-dimethoxyethane 93.03
    ethyl orthosilicate 5.6
    tributyl phosphate 4.85
    diacetone alcohol 42.0
    N,N-dimethylaniline 5.47
    acrylonitrile 7.5
    aniline 5.96
    1,3-propanediol 30.32
    bromobenzene 1.71
    dibromomethane 2.12
    1,1,2,2-tetrachloroethane 12.04
    2-methyl-cyclohexyl acetate 8.25
    tetrabutyl urea 7.52
    diisobutyl methanol 3.51
    2-phenylethanol 10.02
    styrene 1.41
    dioctyl adipate 11.83
    dimethyl sulfate 11.78
    ethyl butyrate 7.55
    methyl lactate 16.46
    butyl lactate 13.76
    diethyl carbonate 4.59
    propanediol butyl ether 37.55
    triethyl orthoformate 9.54
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 19.29
    morpholine 96.34
    tert-butylamine 4.7
    n-dodecanol 3.19
    dimethoxymethane 64.93
    ethylene carbonate 7.05
    cyrene 25.71
    2-ethoxyethyl acetate 27.29
    2-ethylhexyl acetate 6.17
    1,2,4-trichlorobenzene 3.4
    4-methylpyridine 9.83
    dibutyl ether 8.38
    2,6-dimethyl-4-heptanol 3.51
    DEF 13.98
    dimethyl isosorbide 72.86
    tetrachloroethylene 5.26
    eugenol 21.16
    triacetin 21.07
    span 80 32.33
    1,4-butanediol 6.64
    1,1-dichloroethane 3.06
    2-methyl-1-pentanol 11.03
    methyl formate 12.55
    2-methyl-1-butanol 9.64
    n-decane 0.28
    butyronitrile 7.1
    3,7-dimethyl-1-octanol 6.67
    1-chlorooctane 1.69
    1-chlorotetradecane 0.62
    n-nonane 0.21
    undecane 0.19
    tert-butylcyclohexane 0.19
    cyclooctane 0.07
    cyclopentanol 9.29
    tetrahydropyran 34.34
    tert-amyl methyl ether 9.78
    2,5,8-trioxanonane 85.91
    1-hexene 0.9
    2-isopropoxyethanol 33.21
    2,2,2-trifluoroethanol 4.09
    methyl butyrate 10.11

    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