8-Geranyloxypsoralen

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  • Identifiers

    CAS number
    7437-55-0

    Molecular formula
    C21H22O4

    SMILES
    CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 65.57%
    Floral 51.07%
    Sweet 33.24%
    Spicy 30.33%
    Berry 27.84%
    Woody 27.47%
    Powdery 26.51%
    Dry 25.59%
    Rose 25.39%
    Tropical 25.05%

     

    Flavor
    Bitter 54.66%
    Herbal 25.85%
    Woody 22.94%
    Spice 22.85%
    Parsley 20.35%
    Lovage 20.05%
    Heather 19.31%
    Cedarleaf 19.15%
    Genet 18.82%
    Broom 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.54 (weak base)

    Molecular weight
    338.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    485°C

    Melting point expt.

    • 53 - 54 °C

    Flash point

    • 223.85 ˚C est.

  • Synonyms

    • 8-geranyloxypsoralen
    • 7437-55-0
    • DTXSID001315117
    • RefChem:548113
    • DTXCID501745028
    • Xanthotoxol geranyl ether
    • 8-Geranoxypsoralen
    • 8-Geranyloxy psoralen
    • 71612-25-4
    • MFCD03412052
    • 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
    • 9-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
    • CHEMBL1412710
    • 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • 9-((2E)-3,7-dimethylocta-2,6-dienyloxy)furano[3,2-g]chromen-2-one
    • 9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
    • 9-[(3,7-Dimethyl-2,6-octadien-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • 8-geranoxy-psoralen
    • 9-Geranyloxypsoralen
    • (E)-9-((3,7-Dimethyl-2,6-octadienyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one
    • GBA7C839QU
    • MLS002472920
    • orb1297475
    • SCHEMBL4538668
    • 8-Geranyloxypsoralen (Standard)
    • 8-geranyloxypsoralen, AldrichCPR
    • HY-N2262R
    • CHEBI:174547
    • SOVNCTNQAWWYAQ-OQLLNIDSSA-N
    • HMS2268O12
    • HY-N2262
    • BDBM50361381
    • (E)-9-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-
    • AKOS016009380
    • EBC-616604
    • FG67820
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-
    • 9-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
    • NCGC00142593-01
    • NCGC00142593-02
    • DA-60606
    • MS-25150
    • PD125655
    • SMR001397031
    • ST069304
    • CS-0019591
    • Q3599893
    • 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]uro[3,2-g]chromen-7-one
    • 5-Benzofuranacrylic acid, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-6-hydroxy-, delta-lactone
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
    • 9-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • 9-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-furo[3,2-g]chromen-2-one
    • 9-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
    • 7437-55-0

  • Applications

    8-Geranyloxypsoralen (CAS 7437-55-0) is a furocoumarin that can be found as a minor constituent in citrus-derived essential oils, making it relevant to perfumery as a fragrance precursor or trace note; in cosmetics and personal care it may appear in fragrance-containing products as a trace additive. It is commonly evaluated as an intermediate in the synthesis of other psoralen-type compounds and derivatives for specialty chemicals. In analytical and research settings, it serves as a reference material for analytical methods quantifying furocoumarins in botanical materials. Its UV-activated photochemistry is also studied for potential use in photoresponsive coatings or polymer formulations under controlled conditions, with usage governed by regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.86
    methanol 18.28
    isopropanol 19.17
    water 0.01
    ethyl acetate 77.28
    n-propanol 32.8
    acetone 54.87
    n-butanol 34.44
    acetonitrile 23.54
    DMF 56.1
    toluene 105.36
    isobutanol 30.37
    1,4-dioxane 65.15
    methyl acetate 76.34
    THF 158.38
    2-butanone 105.42
    n-pentanol 36.36
    sec-butanol 38.61
    n-hexane 2.74
    ethylene glycol 3.46
    NMP 78.1
    cyclohexane 5.38
    DMSO 65.15
    n-butyl acetate 50.49
    n-octanol 12.8
    chloroform 335.98
    n-propyl acetate 57.97
    acetic acid 57.6
    dichloromethane 358.62
    cyclohexanone 125.04
    propylene glycol 9.06
    isopropyl acetate 48.55
    DMAc 173.05
    2-ethoxyethanol 57.42
    isopentanol 41.63
    n-heptane 2.08
    ethyl formate 28.58
    1,2-dichloroethane 180.11
    n-hexanol 30.61
    2-methoxyethanol 56.49
    isobutyl acetate 43.56
    tetrachloromethane 19.43
    n-pentyl acetate 42.51
    transcutol 220.12
    n-heptanol 17.62
    ethylbenzene 36.71
    MIBK 48.09
    2-propoxyethanol 64.03
    tert-butanol 26.93
    MTBE 37.91
    2-butoxyethanol 47.36
    propionic acid 41.9
    o-xylene 42.73
    formic acid 12.25
    diethyl ether 45.88
    m-xylene 43.62
    p-xylene 45.47
    chlorobenzene 79.56
    dimethyl carbonate 34.48
    n-octane 1.27
    formamide 23.82
    cyclopentanone 108.02
    2-pentanone 72.1
    anisole 60.19
    cyclopentyl methyl ether 73.32
    gamma-butyrolactone 99.91
    1-methoxy-2-propanol 52.72
    pyridine 151.74
    3-pentanone 75.29
    furfural 86.87
    n-dodecane 1.27
    diethylene glycol 33.31
    diisopropyl ether 12.79
    tert-amyl alcohol 42.72
    acetylacetone 70.41
    n-hexadecane 1.46
    acetophenone 70.42
    methyl propionate 69.4
    isopentyl acetate 54.47
    trichloroethylene 345.02
    n-nonanol 14.73
    cyclohexanol 45.72
    benzyl alcohol 61.4
    2-ethylhexanol 23.45
    isooctanol 18.11
    dipropyl ether 21.55
    1,2-dichlorobenzene 65.32
    ethyl lactate 29.95
    propylene carbonate 60.14
    n-methylformamide 22.79
    2-pentanol 29.17
    n-pentane 2.8
    1-propoxy-2-propanol 44.55
    1-methoxy-2-propyl acetate 66.48
    2-(2-methoxypropoxy) propanol 61.28
    mesitylene 18.34
    ε-caprolactone 102.79
    p-cymene 17.99
    epichlorohydrin 192.69
    1,1,1-trichloroethane 99.24
    2-aminoethanol 12.71
    morpholine-4-carbaldehyde 91.48
    sulfolane 98.46
    2,2,4-trimethylpentane 3.2
    2-methyltetrahydrofuran 104.4
    n-hexyl acetate 43.15
    isooctane 1.7
    2-(2-butoxyethoxy)ethanol 69.24
    sec-butyl acetate 48.14
    tert-butyl acetate 44.91
    decalin 4.24
    glycerin 14.81
    diglyme 121.89
    acrylic acid 36.97
    isopropyl myristate 18.88
    n-butyric acid 61.88
    acetyl acetate 47.0
    di(2-ethylhexyl) phthalate 27.15
    ethyl propionate 49.7
    nitromethane 75.7
    1,2-diethoxyethane 67.99
    benzonitrile 53.24
    trioctyl phosphate 15.33
    1-bromopropane 94.06
    gamma-valerolactone 135.62
    n-decanol 11.17
    triethyl phosphate 27.48
    4-methyl-2-pentanol 20.96
    propionitrile 35.59
    vinylene carbonate 59.76
    1,1,2-trichlorotrifluoroethane 102.77
    DMS 55.75
    cumene 22.43
    2-octanol 12.86
    2-hexanone 60.81
    octyl acetate 24.45
    limonene 21.87
    1,2-dimethoxyethane 84.32
    ethyl orthosilicate 27.26
    tributyl phosphate 20.63
    diacetone alcohol 56.29
    N,N-dimethylaniline 41.35
    acrylonitrile 41.97
    aniline 81.6
    1,3-propanediol 24.02
    bromobenzene 88.08
    dibromomethane 209.62
    1,1,2,2-tetrachloroethane 233.63
    2-methyl-cyclohexyl acetate 45.45
    tetrabutyl urea 28.13
    diisobutyl methanol 13.35
    2-phenylethanol 56.73
    styrene 44.46
    dioctyl adipate 36.52
    dimethyl sulfate 50.22
    ethyl butyrate 39.24
    methyl lactate 29.53
    butyl lactate 37.59
    diethyl carbonate 30.16
    propanediol butyl ether 34.63
    triethyl orthoformate 33.24
    p-tert-butyltoluene 15.29
    methyl 4-tert-butylbenzoate 48.85
    morpholine 91.77
    tert-butylamine 16.63
    n-dodecanol 8.76
    dimethoxymethane 63.68
    ethylene carbonate 49.0
    cyrene 52.36
    2-ethoxyethyl acetate 74.47
    2-ethylhexyl acetate 46.86
    1,2,4-trichlorobenzene 84.6
    4-methylpyridine 122.63
    dibutyl ether 19.67
    2,6-dimethyl-4-heptanol 13.35
    DEF 73.39
    dimethyl isosorbide 87.67
    tetrachloroethylene 135.57
    eugenol 53.41
    triacetin 57.41
    span 80 41.79
    1,4-butanediol 12.4
    1,1-dichloroethane 130.15
    2-methyl-1-pentanol 50.42
    methyl formate 18.91
    2-methyl-1-butanol 45.93
    n-decane 2.03
    butyronitrile 34.52
    3,7-dimethyl-1-octanol 18.33
    1-chlorooctane 10.97
    1-chlorotetradecane 4.97
    n-nonane 1.62
    undecane 1.53
    tert-butylcyclohexane 3.42
    cyclooctane 1.85
    cyclopentanol 36.15
    tetrahydropyran 87.16
    tert-amyl methyl ether 39.5
    2,5,8-trioxanonane 90.05
    1-hexene 18.52
    2-isopropoxyethanol 51.27
    2,2,2-trifluoroethanol 18.08
    methyl butyrate 61.32

    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