7-Prenyloxycoumarin

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10387-50-5

    Molecular formula
    C14H14O3

    SMILES
    CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C

  • Odor profile

    Sweet 52.66%
    Herbal 43.89%
    Floral 42.98%
    Fruity 41.78%
    Spicy 37.49%
    Woody 31.42%
    Balsamic 31.08%
    Phenolic 30.59%
    Powdery 29.11%
    Tobacco 28.96%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    230.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point est.
    161.12 ˚C

  • Synonyms

    • 7-Prenyloxycoumarin
    • 10387-50-5
    • NSC267697
    • 7-(3-methylbut-2-enoxy)chromen-2-one
    • 7-Prenylumbelliferone
    • 7-O-Prenylumbelliferone
    • CHEMBL156692
    • 7-((3-Methylbut-2-en-1-yl)oxy)-2H-chromen-2-one
    • 7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one
    • DIMETHYLALLYLUMBELLIFERONE, 0-
    • A-130
    • 7-(Isopentenyloxy)coumarin
    • MLS001049095
    • SCHEMBL4898255
    • DTXSID50313213
    • SMHJTSOVVRGDEO-UHFFFAOYSA-N
    • HMS2271J13
    • 7-(3,3-Dimethylallyloxy)Coumarin
    • HY-N7023
    • KAA38750
    • BDBM50361372
    • STK921054
    • 7-(3-Methyl-2-butenyloxy) coumarin
    • AKOS001064505
    • NSC 267697
    • NSC-267697
    • MS-23306
    • SMR000386928
    • 1ST164135
    • 7-(3-METHYL-2-BUTENYLOXY)COUMARIN
    • DS-001640
    • CS-0101590
    • E88582
    • AK-693/40881553
    • SR-01000234416
    • SR-01000234416-1
    • Z54658723
    • 7-[(3-METHYLBUT-2-EN-1-YL)OXY]CHROMEN-2-ONE
    • 2H-1-BENZOPYRAN-2-ONE,7-[(3-METHYL-2-BUTEN-1-YL)OXY]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.56
    methanol 52.99
    isopropanol 34.3
    water 0.02
    ethyl acetate 71.19
    n-propanol 43.86
    acetone 95.43
    n-butanol 35.07
    acetonitrile 85.76
    DMF 157.7
    toluene 36.99
    isobutanol 32.06
    1,4-dioxane 203.3
    methyl acetate 105.91
    THF 247.34
    2-butanone 111.24
    n-pentanol 33.16
    sec-butanol 35.93
    n-hexane 0.57
    ethylene glycol 10.98
    NMP 78.41
    cyclohexane 1.37
    DMSO 248.16
    n-butyl acetate 51.59
    n-octanol 9.71
    chloroform 180.6
    n-propyl acetate 55.33
    acetic acid 80.07
    dichloromethane 207.38
    cyclohexanone 100.04
    propylene glycol 26.71
    isopropyl acetate 38.86
    DMAc 253.5
    2-ethoxyethanol 105.09
    isopentanol 35.93
    n-heptane 0.83
    ethyl formate 38.57
    1,2-dichloroethane 148.23
    n-hexanol 25.06
    2-methoxyethanol 172.64
    isobutyl acetate 38.78
    tetrachloromethane 4.91
    n-pentyl acetate 23.57
    transcutol 610.4
    n-heptanol 11.25
    ethylbenzene 17.09
    MIBK 39.32
    2-propoxyethanol 96.01
    tert-butanol 48.02
    MTBE 44.41
    2-butoxyethanol 45.21
    propionic acid 46.88
    o-xylene 16.84
    formic acid 23.25
    diethyl ether 45.05
    m-xylene 18.3
    p-xylene 25.74
    chlorobenzene 41.67
    dimethyl carbonate 32.66
    n-octane 0.42
    formamide 59.82
    cyclopentanone 112.33
    2-pentanone 55.31
    anisole 66.96
    cyclopentyl methyl ether 61.0
    gamma-butyrolactone 116.43
    1-methoxy-2-propanol 109.03
    pyridine 167.11
    3-pentanone 49.09
    furfural 127.74
    n-dodecane 0.7
    diethylene glycol 75.42
    diisopropyl ether 8.96
    tert-amyl alcohol 42.37
    acetylacetone 88.97
    n-hexadecane 0.82
    acetophenone 60.19
    methyl propionate 63.9
    isopentyl acetate 53.29
    trichloroethylene 257.89
    n-nonanol 11.08
    cyclohexanol 32.56
    benzyl alcohol 54.76
    2-ethylhexanol 17.57
    isooctanol 11.14
    dipropyl ether 23.74
    1,2-dichlorobenzene 36.1
    ethyl lactate 28.83
    propylene carbonate 58.32
    n-methylformamide 57.71
    2-pentanol 19.54
    n-pentane 0.4
    1-propoxy-2-propanol 58.66
    1-methoxy-2-propyl acetate 73.48
    2-(2-methoxypropoxy) propanol 86.22
    mesitylene 8.89
    ε-caprolactone 87.25
    p-cymene 11.26
    epichlorohydrin 263.79
    1,1,1-trichloroethane 51.31
    2-aminoethanol 32.83
    morpholine-4-carbaldehyde 175.88
    sulfolane 124.88
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 123.41
    n-hexyl acetate 34.29
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 117.16
    sec-butyl acetate 38.87
    tert-butyl acetate 46.76
    decalin 1.65
    glycerin 40.59
    diglyme 243.55
    acrylic acid 44.73
    isopropyl myristate 16.92
    n-butyric acid 55.85
    acetyl acetate 45.29
    di(2-ethylhexyl) phthalate 22.81
    ethyl propionate 44.56
    nitromethane 171.74
    1,2-diethoxyethane 114.32
    benzonitrile 55.6
    trioctyl phosphate 11.38
    1-bromopropane 41.64
    gamma-valerolactone 191.39
    n-decanol 8.88
    triethyl phosphate 26.41
    4-methyl-2-pentanol 14.41
    propionitrile 50.9
    vinylene carbonate 58.75
    1,1,2-trichlorotrifluoroethane 118.0
    DMS 56.67
    cumene 11.78
    2-octanol 6.83
    2-hexanone 56.83
    octyl acetate 20.87
    limonene 13.79
    1,2-dimethoxyethane 182.53
    ethyl orthosilicate 24.39
    tributyl phosphate 18.9
    diacetone alcohol 69.18
    N,N-dimethylaniline 39.61
    acrylonitrile 72.71
    aniline 56.08
    1,3-propanediol 58.22
    bromobenzene 38.44
    dibromomethane 99.09
    1,1,2,2-tetrachloroethane 185.64
    2-methyl-cyclohexyl acetate 40.42
    tetrabutyl urea 25.87
    diisobutyl methanol 12.32
    2-phenylethanol 45.75
    styrene 22.14
    dioctyl adipate 34.62
    dimethyl sulfate 49.81
    ethyl butyrate 42.43
    methyl lactate 32.74
    butyl lactate 27.04
    diethyl carbonate 34.47
    propanediol butyl ether 44.59
    triethyl orthoformate 34.56
    p-tert-butyltoluene 10.07
    methyl 4-tert-butylbenzoate 44.93
    morpholine 251.41
    tert-butylamine 20.62
    n-dodecanol 7.33
    dimethoxymethane 127.25
    ethylene carbonate 47.19
    cyrene 61.13
    2-ethoxyethyl acetate 61.52
    2-ethylhexyl acetate 40.93
    1,2,4-trichlorobenzene 53.18
    4-methylpyridine 119.04
    dibutyl ether 24.21
    2,6-dimethyl-4-heptanol 12.32
    DEF 77.11
    dimethyl isosorbide 123.75
    tetrachloroethylene 77.92
    eugenol 50.33
    triacetin 60.53
    span 80 48.74
    1,4-butanediol 18.98
    1,1-dichloroethane 78.54
    2-methyl-1-pentanol 37.22
    methyl formate 42.24
    2-methyl-1-butanol 34.78
    n-decane 0.97
    butyronitrile 44.81
    3,7-dimethyl-1-octanol 16.95
    1-chlorooctane 6.43
    1-chlorotetradecane 3.33
    n-nonane 0.72
    undecane 0.8
    tert-butylcyclohexane 1.64
    cyclooctane 0.42
    cyclopentanol 31.36
    tetrahydropyran 117.04
    tert-amyl methyl ether 33.76
    2,5,8-trioxanonane 170.62
    1-hexene 6.83
    2-isopropoxyethanol 67.8
    2,2,2-trifluoroethanol 19.49
    methyl butyrate 60.04

    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
Tagetes lucida Tagetes lucida Cav. ssp. lucida, fam. Asteraceae (Compositae) 0.01%