Ayapin

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  • Identifiers

    CAS number
    494-56-4

    Molecular formula
    C10H6O4

    SMILES
    C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.22%
    Coumarinic 52.6%
    Coconut 43.96%
    Powdery 39.72%
    Creamy 38.83%
    Vanilla 38.7%
    Balsamic 33.55%
    Spicy 31.41%
    Phenolic 31.3%
    Floral 28.81%

     

    Flavor
    Bitter 84.5%
    Sweet 53.99%
    Tonka 42.16%
    Coconut 29.69%
    Balsam 25.43%
    Creamy 22.96%
    Balsamic 20.5%
    Naphthalic 20.15%
    Vanilla 20.12%
    Heliotropin 18.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.93 (weak acid)

    Molecular weight
    190.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 182.05 ˚C est.

  • Synonyms

    • Ayapin
    • 494-56-4
    • 6,7-(Methylenedioxy)coumarin
    • AIAPIN
    • 7Y9JR4973B
    • UNII-7Y9JR4973B
    • 6,7-(METHYLENEBIS(OXY))COUMARIN
    • CINNAMIC ACID, 2-HYDROXY-4,5-(METHYLENEDIOXY)-, LACTONE
    • RefChem:29090
    • [1,3]Dioxolo[4,5-g]chromen-6-one
    • 6H-[1,3]dioxolo[4,5-g]chromen-6-one
    • 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-one
    • 2H,6H-[1,3]DIOXOLO[4,5-G]CHROMEN-6-ONE
    • 6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-one
    • CHEMBL595798
    • orb3023869
    • SCHEMBL6694210
    • SCHEMBL30171405
    • CHEBI:81483
    • DTXSID40197786
    • AAA49456
    • MFCD09032224
    • AKOS006291348
    • EBC-618279
    • pyrano[6,5-f][1,3]benzodioxol-6-one
    • AC-20782
    • SY300573
    • DB-290427
    • C18078
    • EN300-6489498
    • 2H,6H-[1,3]Dioxolo[4,5-g][1]benzopyran-6-one
    • Q27155411
    • Z1198183381
    • 494-56-4

  • Applications

    Ayapin, CAS 494-56-4, is a natural sesquiterpene found in Ayapana essential oil. In industry it is primarily used as a fragrance ingredient (odorant) for perfumery and cosmetics; it can be incorporated in household products and cleaning formulations to impart aroma; it may be evaluated as a chemical intermediate for synthesis in various industrial applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.77
    methanol 33.37
    isopropanol 14.04
    water 1.23
    ethyl acetate 49.9
    n-propanol 11.97
    acetone 109.9
    n-butanol 10.38
    acetonitrile 70.45
    DMF 153.13
    toluene 16.34
    isobutanol 10.21
    1,4-dioxane 88.23
    methyl acetate 82.26
    THF 86.31
    2-butanone 79.63
    n-pentanol 10.41
    sec-butanol 12.98
    n-hexane 0.45
    ethylene glycol 20.51
    NMP 138.66
    cyclohexane 1.08
    DMSO 313.92
    n-butyl acetate 32.05
    n-octanol 9.19
    chloroform 22.9
    n-propyl acetate 37.91
    acetic acid 33.62
    dichloromethane 49.28
    cyclohexanone 57.78
    propylene glycol 7.82
    isopropyl acetate 31.54
    DMAc 246.81
    2-ethoxyethanol 61.68
    isopentanol 15.0
    n-heptane 1.3
    ethyl formate 39.87
    1,2-dichloroethane 43.09
    n-hexanol 11.25
    2-methoxyethanol 89.45
    isobutyl acetate 16.05
    tetrachloromethane 4.68
    n-pentyl acetate 19.48
    transcutol 174.07
    n-heptanol 8.15
    ethylbenzene 12.15
    MIBK 28.94
    2-propoxyethanol 45.98
    tert-butanol 24.19
    MTBE 19.86
    2-butoxyethanol 29.41
    propionic acid 23.24
    o-xylene 19.42
    formic acid 38.87
    diethyl ether 25.28
    m-xylene 12.4
    p-xylene 18.76
    chlorobenzene 16.28
    dimethyl carbonate 44.13
    n-octane 0.64
    formamide 133.38
    cyclopentanone 71.03
    2-pentanone 41.89
    anisole 45.51
    cyclopentyl methyl ether 28.55
    gamma-butyrolactone 89.47
    1-methoxy-2-propanol 45.18
    pyridine 73.35
    3-pentanone 41.45
    furfural 101.84
    n-dodecane 0.89
    diethylene glycol 59.2
    diisopropyl ether 8.64
    tert-amyl alcohol 22.29
    acetylacetone 75.42
    n-hexadecane 1.06
    acetophenone 53.04
    methyl propionate 48.89
    isopentyl acetate 29.18
    trichloroethylene 63.96
    n-nonanol 9.69
    cyclohexanol 15.04
    benzyl alcohol 32.18
    2-ethylhexanol 11.66
    isooctanol 8.4
    dipropyl ether 15.3
    1,2-dichlorobenzene 19.44
    ethyl lactate 23.75
    propylene carbonate 43.78
    n-methylformamide 83.22
    2-pentanol 8.47
    n-pentane 0.43
    1-propoxy-2-propanol 30.89
    1-methoxy-2-propyl acetate 44.47
    2-(2-methoxypropoxy) propanol 53.39
    mesitylene 8.57
    ε-caprolactone 54.39
    p-cymene 11.64
    epichlorohydrin 102.22
    1,1,1-trichloroethane 20.53
    2-aminoethanol 17.58
    morpholine-4-carbaldehyde 135.61
    sulfolane 120.51
    2,2,4-trimethylpentane 0.72
    2-methyltetrahydrofuran 51.01
    n-hexyl acetate 24.19
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 53.21
    sec-butyl acetate 24.98
    tert-butyl acetate 33.31
    decalin 1.54
    glycerin 24.33
    diglyme 124.41
    acrylic acid 27.15
    isopropyl myristate 13.6
    n-butyric acid 21.96
    acetyl acetate 37.9
    di(2-ethylhexyl) phthalate 15.31
    ethyl propionate 37.09
    nitromethane 147.62
    1,2-diethoxyethane 47.15
    benzonitrile 39.08
    trioctyl phosphate 10.4
    1-bromopropane 12.77
    gamma-valerolactone 105.7
    n-decanol 8.13
    triethyl phosphate 24.13
    4-methyl-2-pentanol 8.02
    propionitrile 34.78
    vinylene carbonate 41.71
    1,1,2-trichlorotrifluoroethane 65.44
    DMS 39.22
    cumene 9.48
    2-octanol 6.34
    2-hexanone 36.16
    octyl acetate 16.52
    limonene 13.0
    1,2-dimethoxyethane 132.08
    ethyl orthosilicate 19.6
    tributyl phosphate 14.65
    diacetone alcohol 46.56
    N,N-dimethylaniline 32.79
    acrylonitrile 52.88
    aniline 27.34
    1,3-propanediol 25.69
    bromobenzene 15.67
    dibromomethane 23.48
    1,1,2,2-tetrachloroethane 43.7
    2-methyl-cyclohexyl acetate 24.36
    tetrabutyl urea 22.88
    diisobutyl methanol 9.45
    2-phenylethanol 28.02
    styrene 14.57
    dioctyl adipate 21.32
    dimethyl sulfate 85.21
    ethyl butyrate 30.6
    methyl lactate 31.38
    butyl lactate 18.98
    diethyl carbonate 29.03
    propanediol butyl ether 25.28
    triethyl orthoformate 23.74
    p-tert-butyltoluene 9.64
    methyl 4-tert-butylbenzoate 34.09
    morpholine 73.99
    tert-butylamine 9.55
    n-dodecanol 6.8
    dimethoxymethane 91.87
    ethylene carbonate 39.03
    cyrene 46.03
    2-ethoxyethyl acetate 36.56
    2-ethylhexyl acetate 24.39
    1,2,4-trichlorobenzene 27.45
    4-methylpyridine 60.95
    dibutyl ether 14.74
    2,6-dimethyl-4-heptanol 9.45
    DEF 72.8
    dimethyl isosorbide 72.55
    tetrachloroethylene 32.26
    eugenol 34.32
    triacetin 38.92
    span 80 23.9
    1,4-butanediol 12.94
    1,1-dichloroethane 22.1
    2-methyl-1-pentanol 13.84
    methyl formate 73.43
    2-methyl-1-butanol 12.59
    n-decane 1.23
    butyronitrile 25.1
    3,7-dimethyl-1-octanol 12.67
    1-chlorooctane 5.13
    1-chlorotetradecane 3.0
    n-nonane 1.01
    undecane 1.05
    tert-butylcyclohexane 1.13
    cyclooctane 0.61
    cyclopentanol 15.87
    tetrahydropyran 33.13
    tert-amyl methyl ether 21.52
    2,5,8-trioxanonane 90.47
    1-hexene 2.7
    2-isopropoxyethanol 40.63
    2,2,2-trifluoroethanol 30.12
    methyl butyrate 45.21

    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