Psoralen

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    66-97-7

    Molecular formula
    C11H6O3

    SMILES
    C1=CC(=O)OC2=CC3=C(C=CO3)C=C21

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 81.8%
    Coumarinic 51.45%
    Powdery 41.98%
    Coconut 39.94%
    Nutty 38.44%
    Balsamic 36.87%
    Burnt 35.66%
    Vanilla 34.09%
    Creamy 32.41%
    Caramellic 31.21%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    186.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 171 °C

    Boiling point

    • 362.00 to 363.00 °C. @ 760.00 mm Hg

    Flash point est.
    171.74 ˚C

    Solubility expt.

    • In water, 65.16 mg/L at 25 °C

  • Synonyms

    • Psoralen
    • 66-97-7
    • Ficusin
    • 7H-Furo[3,2-g]chromen-7-one
    • Furocoumarin
    • Psoralene
    • 7H-Furo[3,2-g][1]benzopyran-7-one
    • Psorline-P
    • furo[3,2-g]chromen-7-one
    • 6,7-Furanocoumarin
    • Furo(3,2-g)-coumarin
    • Furo(2',3',7,6)coumarin
    • Furo(4',5',6,7)coumarin
    • Furo[3,2-g]coumarin
    • NSC 404562
    • CCRIS 4343
    • Manaderm
    • Furo[2',3':7,6]coumarin
    • Furo[4',5':6,7]coumarin
    • KTZ7ZCN2EX
    • UNII-KTZ7ZCN2EX
    • 7H-Furo(3,2-g)(1)benzopyran-7-one
    • HSDB 3528
    • 7H-Furo[3,2-g]benzopyran-7-one
    • EINECS 200-639-7
    • 6-Hydroxy-5-benzofuranacrylic acid beta-lactone
    • NSC-404562
    • BRN 0152784
    • Furo[2'.3':7.6]coumarin
    • 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone
    • CHEBI:27616
    • MFCD00010520
    • 6-hydroxy-5-benzofuranacrylic acid delta-lactone
    • CHEMBL164660
    • 2H-furo[3,2-g]chromen-2-one
    • 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone
    • DTXSID00216205
    • 6-hydroxy-5-benzofuranacrylic acid gamma-lactone
    • 5-19-04-00445 (Beilstein Handbook Reference)
    • TNP00293
    • Psoralen (Ficusin)
    • 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone
    • PSORALEN (USP-RS)
    • PSORALEN [USP-RS]
    • furo(2',3':7,6)coumarin
    • furo(4',5':6,7)coumarin
    • 7H-Furo(3,2-g)chromen-7-one
    • C11H6O3
    • furo
    • furano[3,2-g]chromen-2-one
    • Psoralene (DCF)
    • Manaderm (TN)
    • Psoralen (Standard)
    • Psoralen, 97%
    • Furo[4',7]coumarin
    • PHYTOALEXIN-CMPD
    • PSORALEN [HSDB]
    • PSORALEN [MI]
    • PSORALEN [WHO-DD]
    • Oprea1_841692
    • SCHEMBL17835
    • Psoralen, analytical standard
    • MLS001304059
    • MEGxp0_001172
    • Psoralen, >=99% (HPLC)
    • ACon1_001579
    • HY-N0053R
    • pyrano[5,6-f]benzofuran-7-one
    • DTXCID60138696
    • HMS2267L05
    • BCP04177
    • HY-N0053
    • 7H-Furo[3,2-g]chromen-7-one #
    • BDBM50331544
    • NSC404562
    • s4737
    • STL564822
    • AKOS004110987
    • AC-7968
    • CCG-266472
    • CS-3756
    • FP15273
    • FURO(2',3':7',6)COUMARIN
    • NCGC00017351-01
    • NCGC00017351-02
    • NCGC00017351-03
    • NCGC00017351-07
    • NCGC00142529-01
    • AS-59034
    • SMR000112587
    • NS00015842
    • P2077
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9CI
    • 6-hydroxy-5-benzofuranacrylic Acid deta-lacton
    • C09305
    • D08450
    • AA-504/20833002
    • AJ-738/21166005
    • Q417788
    • BRD-K47264279-001-01-4
    • BRD-K47264279-001-08-9
    • 5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone
    • Z1201617131
    • 6-HYDROXY-5-BENZOFURANACRYLIC ACID .DELTA.-LACTONE
    • 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone
    • InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6
    • 200-639-7

  • Applications

    Psoralen (CAS 66-97-7) is a furocoumarin that intercalates into nucleic acids and forms UVA‑induced crosslinks, enabling multiple applications: in dermatology, its derivatives (notably 8‑methoxypsoralen and 5‑methoxypsoralen) are used in PUVA therapy and extracorporeal photopheresis to treat vitiligo, psoriasis, dermatitis, and cutaneous T‑cell lymphoma; in blood safety, UVA‑activated psoralens (e.g., amotosalen) are employed for pathogen inactivation in platelet and plasma components; in molecular biology and photobiology, psoralen serves as a light‑activated DNA/RNA crosslinker to map nucleic‑acid structure, probe supercoiling, chromatin organization, and DNA crosslink‑repair pathways; analytically, it is a reference material for natural furocoumarins; and as a model photosensitizer it is used to study phototoxicity mechanisms and screen UV filters, while its strong photosensitizing and photocarcinogenic risks under UVA require controlled dosing, light protection, and adherence to cosmetic and clinical regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.44
    methanol 25.33
    isopropanol 10.8
    water 0.23
    ethyl acetate 34.91
    n-propanol 12.24
    acetone 61.93
    n-butanol 10.07
    acetonitrile 27.06
    DMF 107.3
    toluene 13.68
    isobutanol 9.5
    1,4-dioxane 65.07
    methyl acetate 53.43
    THF 88.13
    2-butanone 62.52
    n-pentanol 11.04
    sec-butanol 13.6
    n-hexane 0.33
    ethylene glycol 15.97
    NMP 138.39
    cyclohexane 0.41
    DMSO 169.92
    n-butyl acetate 26.77
    n-octanol 5.55
    chloroform 8.59
    n-propyl acetate 30.04
    acetic acid 22.65
    dichloromethane 22.94
    cyclohexanone 40.19
    propylene glycol 10.08
    isopropyl acetate 23.48
    DMAc 172.19
    2-ethoxyethanol 57.0
    isopentanol 13.49
    n-heptane 0.59
    ethyl formate 21.27
    1,2-dichloroethane 27.04
    n-hexanol 10.33
    2-methoxyethanol 82.39
    isobutyl acetate 13.18
    tetrachloromethane 2.21
    n-pentyl acetate 16.25
    transcutol 316.12
    n-heptanol 6.44
    ethylbenzene 10.98
    MIBK 21.72
    2-propoxyethanol 48.54
    tert-butanol 16.98
    MTBE 18.12
    2-butoxyethanol 28.2
    propionic acid 19.66
    o-xylene 15.69
    formic acid 21.77
    diethyl ether 21.18
    m-xylene 10.54
    p-xylene 13.37
    chlorobenzene 13.33
    dimethyl carbonate 30.36
    n-octane 0.23
    formamide 70.79
    cyclopentanone 62.71
    2-pentanone 32.33
    anisole 46.9
    cyclopentyl methyl ether 26.74
    gamma-butyrolactone 77.87
    1-methoxy-2-propanol 53.05
    pyridine 51.64
    3-pentanone 30.27
    furfural 93.72
    n-dodecane 0.31
    diethylene glycol 59.69
    diisopropyl ether 6.87
    tert-amyl alcohol 20.26
    acetylacetone 55.97
    n-hexadecane 0.37
    acetophenone 46.92
    methyl propionate 38.33
    isopentyl acetate 26.6
    trichloroethylene 42.27
    n-nonanol 5.7
    cyclohexanol 10.83
    benzyl alcohol 31.8
    2-ethylhexanol 10.05
    isooctanol 6.32
    dipropyl ether 12.3
    1,2-dichlorobenzene 17.55
    ethyl lactate 23.79
    propylene carbonate 37.69
    n-methylformamide 51.19
    2-pentanol 8.31
    n-pentane 0.27
    1-propoxy-2-propanol 33.3
    1-methoxy-2-propyl acetate 46.3
    2-(2-methoxypropoxy) propanol 59.09
    mesitylene 6.36
    ε-caprolactone 47.1
    p-cymene 9.34
    epichlorohydrin 98.13
    1,1,1-trichloroethane 11.26
    2-aminoethanol 17.94
    morpholine-4-carbaldehyde 134.6
    sulfolane 110.64
    2,2,4-trimethylpentane 0.68
    2-methyltetrahydrofuran 54.29
    n-hexyl acetate 20.41
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 65.25
    sec-butyl acetate 21.99
    tert-butyl acetate 27.85
    decalin 1.14
    glycerin 28.46
    diglyme 134.42
    acrylic acid 23.34
    isopropyl myristate 10.47
    n-butyric acid 17.74
    acetyl acetate 23.56
    di(2-ethylhexyl) phthalate 14.71
    ethyl propionate 31.2
    nitromethane 86.62
    1,2-diethoxyethane 54.77
    benzonitrile 28.7
    trioctyl phosphate 8.38
    1-bromopropane 8.91
    gamma-valerolactone 95.47
    n-decanol 4.64
    triethyl phosphate 20.02
    4-methyl-2-pentanol 7.19
    propionitrile 18.32
    vinylene carbonate 32.62
    1,1,2-trichlorotrifluoroethane 58.16
    DMS 39.68
    cumene 8.91
    2-octanol 4.16
    2-hexanone 29.47
    octyl acetate 12.82
    limonene 10.1
    1,2-dimethoxyethane 100.7
    ethyl orthosilicate 17.06
    tributyl phosphate 12.74
    diacetone alcohol 44.35
    N,N-dimethylaniline 31.83
    acrylonitrile 28.52
    aniline 25.58
    1,3-propanediol 25.37
    bromobenzene 12.04
    dibromomethane 10.89
    1,1,2,2-tetrachloroethane 29.5
    2-methyl-cyclohexyl acetate 23.13
    tetrabutyl urea 18.56
    diisobutyl methanol 7.24
    2-phenylethanol 27.53
    styrene 12.9
    dioctyl adipate 19.51
    dimethyl sulfate 60.34
    ethyl butyrate 25.19
    methyl lactate 32.22
    butyl lactate 20.68
    diethyl carbonate 22.63
    propanediol butyl ether 30.72
    triethyl orthoformate 20.56
    p-tert-butyltoluene 7.88
    methyl 4-tert-butylbenzoate 32.58
    morpholine 61.59
    tert-butylamine 7.07
    n-dodecanol 3.81
    dimethoxymethane 66.82
    ethylene carbonate 25.07
    cyrene 51.13
    2-ethoxyethyl acetate 40.72
    2-ethylhexyl acetate 21.8
    1,2,4-trichlorobenzene 24.14
    4-methylpyridine 45.65
    dibutyl ether 10.19
    2,6-dimethyl-4-heptanol 7.24
    DEF 53.16
    dimethyl isosorbide 82.12
    tetrachloroethylene 21.79
    eugenol 36.19
    triacetin 40.23
    span 80 28.13
    1,4-butanediol 12.13
    1,1-dichloroethane 12.01
    2-methyl-1-pentanol 15.33
    methyl formate 39.76
    2-methyl-1-butanol 13.21
    n-decane 0.44
    butyronitrile 13.77
    3,7-dimethyl-1-octanol 9.21
    1-chlorooctane 2.9
    1-chlorotetradecane 1.52
    n-nonane 0.33
    undecane 0.37
    tert-butylcyclohexane 0.92
    cyclooctane 0.27
    cyclopentanol 13.02
    tetrahydropyran 26.31
    tert-amyl methyl ether 21.32
    2,5,8-trioxanonane 95.36
    1-hexene 2.63
    2-isopropoxyethanol 39.46
    2,2,2-trifluoroethanol 17.52
    methyl butyrate 33.96

    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

Botanical

Name CAS Botanical Proportion
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.28%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 1.1%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.55%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 3.2%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.05%