Hymecromone

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  • Identifiers

    CAS number
    90-33-5

    Molecular formula
    C10H8O3

    SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 57.08%
    Sweet 41.78%
    Nutty 36.32%
    Burnt 33.64%
    Coconut 33.54%
    Animal 30.25%
    Coumarinic 29.82%
    Odorless 28.58%
    Creamy 28.45%
    Vanilla 27.89%

     

    Flavor
    Bitter 71.97%
    Phenolic 27.53%
    Nutty 25.29%
    Tonka 22.21%
    Very strong 21.71%
    Musty 21.71%
    Flat 21.64%
    Almond 21.6%
    Curry 21.56%
    Indole 21.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.06 (neutral)

    Molecular weight
    176.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    370°C

    Melting point expt.

    • 381 to 383 °F (NTP, 1992)

    Flash point

    • 166.89 ˚C est.

    Solubility expt.

    • Insoluble (NTP, 1992)

  • Synonyms

    • 4-methylumbelliferone
    • Hymecromone
    • 90-33-5
    • 7-HYDROXY-4-METHYLCOUMARIN
    • 7-Hydroxy-4-methyl-2H-chromen-2-one
    • Imecromone
    • Cantabiline
    • Cholestil
    • Mendiaxon
    • beta-Methylumbelliferone
    • 4-Methyl-7-hydroxycoumarin
    • Bilcolic
    • Bilicante
    • Cantabilin
    • Coumarin 4
    • Cholonerton
    • Hymecromon
    • Resocyanine
    • Crodimon
    • Eurogale
    • Medilla
    • 4-MU
    • Cumarote-C
    • 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-
    • Himecromona
    • 4-Methylumbelliferon
    • Omega 127
    • Pilot 447
    • 7-hydroxy-4-methylchromen-2-one
    • Hymecromonum
    • 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran
    • Hymecromonum [INN-Latin]
    • Himecromona [INN-Spanish]
    • LM 94
    • LM-94
    • 7-hydroxy-4-methyl-chromen-2-one
    • NSC 9408
    • 4 Methylumbelliferone
    • 7-hydroxy-4-methyl-coumarin
    • MFCD00006866
    • NSC 19026
    • 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one
    • CCRIS 5926
    • 79566-13-5
    • Coumarin, 7-hydroxy-4-methyl-
    • .beta.-Methylumbelliferone
    • NSC-9408
    • EINECS 201-986-7
    • Cantabiline (TN)
    • NSC-19026
    • 7-hydroxy-4-methyl coumarin
    • 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-
    • 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-
    • 4-Methyl-7-hydroxy-coumarin
    • 7-Hydroxy-4-methyl-2-oxo-3-chromene
    • BRN 0142217
    • 4-Methylumbelliferone (4-MU)
    • DTXSID8025670
    • CHEBI:17224
    • AI3-08085
    • NSC9408
    • 3T5NG4Q468
    • Hymecromone [USAN:INN:BAN:JAN]
    • NSC19026
    • HYMECROMONE [MI]
    • HYMECROMONE [INN]
    • HYMECROMONE [JAN]
    • HYMECROMONE [USAN]
    • 2-Hydroxy-4-methyl-7H-chromen-7-one
    • Methylumbelliferone, .beta.
    • HYMECROMONE [MART.]
    • HYMECROMONE [WHO-DD]
    • CHEMBL12208
    • DTXCID805670
    • METHYLUMBELLIFERONE, BETA
    • 7H-1-Benzopyran-7-one, 2-hydroxy-4-methyl-
    • HYMECROMONE [EP MONOGRAPH]
    • 5-18-01-00439 (Beilstein Handbook Reference)
    • CAS-90-33-5
    • NCGC00016345-01
    • Hymecromonum (INN-Latin)
    • Himecromona (INN-Spanish)
    • HYMECROMONE (MART.)
    • Imecromone [DCIT]
    • WLN: T66 BOVJ E1 IQ
    • Cholspasmin
    • Hymechrome
    • HYMECROMONE (EP MONOGRAPH)
    • SMR000471886
    • 4-Methylumbelliferon [Czech]
    • 7 Hydroxy 4 methyl coumarin
    • Himecol
    • CumaroteC
    • UNII-3T5NG4Q468
    • Biliton H
    • 4methylumbelliferon
    • 4methylumbelliferone
    • 4MU
    • ZZ1
    • A-Methylumbelliferone
    • betaMethylumbelliferone
    • 4-methyl umbelliferone
    • 4-Methyl-umbelliferone
    • 4Methyl7hydroxycoumarin
    • 7Hydroxy4methylcoumarin
    • Umbelliferone, 4methyl
    • Coumarin derivative, 3b
    • Maybridge1_002078
    • Prestwick0_000901
    • Prestwick1_000901
    • Prestwick2_000901
    • Prestwick3_000901
    • Coumarin, 7hydroxy4methyl
    • Umbelliferone, 4-methyl-
    • 4-methyl-7-hydroxy-cumarin
    • 7-hydroxy-4-methyl-coumari
    • 7Hydroxy4methyl2oxo3chromene
    • SCHEMBL24150
    • BSPBio_000742
    • 7-hydroxy-4-methyl coumarine
    • MLS001074671
    • MLS004491718
    • 4-Methyl-7-hydroxyl Coumarin
    • SPBio_002941
    • BPBio1_000818
    • MEGxp0_001898
    • 7-hydroxy-4-methyl-2-coumarin
    • 4-Methylumbelliferone, >=98%

  • Applications

    Hymecromone (CAS 90-33-5) is a coumarin derivative used primarily as an intermediate in the synthesis of more complex coumarin compounds; in perfumery it functions as an odorant or fragrance ingredient; in cosmetics and personal care it may be used as a fragrance component; in industrial manufacturing it serves as a building block for specialty chemicals; in coatings, inks, and polymers it may be evaluated as a UV-absorbing additive or stabilizer; in pharmaceutical development it is used as a synthetic intermediate for potential drug candidates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.41
    methanol 42.97
    isopropanol 13.74
    water 0.28
    ethyl acetate 43.18
    n-propanol 17.53
    acetone 114.47
    n-butanol 16.27
    acetonitrile 47.25
    DMF 802.03
    toluene 2.94
    isobutanol 13.52
    1,4-dioxane 156.33
    methyl acetate 66.44
    THF 270.23
    2-butanone 54.12
    n-pentanol 14.89
    sec-butanol 10.7
    n-hexane 0.19
    ethylene glycol 10.48
    NMP 295.59
    cyclohexane 0.19
    DMSO 374.43
    n-butyl acetate 36.66
    n-octanol 19.67
    chloroform 4.23
    n-propyl acetate 37.54
    acetic acid 59.87
    dichloromethane 21.77
    cyclohexanone 81.01
    propylene glycol 10.75
    isopropyl acetate 25.02
    DMAc 209.59
    2-ethoxyethanol 60.57
    isopentanol 17.56
    n-heptane 1.01
    ethyl formate 56.1
    1,2-dichloroethane 22.82
    n-hexanol 18.8
    2-methoxyethanol 143.55
    isobutyl acetate 20.96
    tetrachloromethane 0.62
    n-pentyl acetate 31.99
    transcutol 255.92
    n-heptanol 15.29
    ethylbenzene 2.98
    MIBK 27.4
    2-propoxyethanol 86.78
    tert-butanol 26.17
    MTBE 14.41
    2-butoxyethanol 49.5
    propionic acid 28.72
    o-xylene 3.82
    formic acid 32.09
    diethyl ether 14.0
    m-xylene 4.41
    p-xylene 4.68
    chlorobenzene 8.25
    dimethyl carbonate 48.33
    n-octane 0.52
    formamide 88.07
    cyclopentanone 181.97
    2-pentanone 44.01
    anisole 24.38
    cyclopentyl methyl ether 45.68
    gamma-butyrolactone 250.45
    1-methoxy-2-propanol 83.23
    pyridine 37.27
    3-pentanone 27.31
    furfural 175.69
    n-dodecane 0.93
    diethylene glycol 78.7
    diisopropyl ether 4.31
    tert-amyl alcohol 15.81
    acetylacetone 95.82
    n-hexadecane 1.1
    acetophenone 32.56
    methyl propionate 52.91
    isopentyl acetate 31.51
    trichloroethylene 34.3
    n-nonanol 19.57
    cyclohexanol 12.17
    benzyl alcohol 22.44
    2-ethylhexanol 15.24
    isooctanol 13.28
    dipropyl ether 20.49
    1,2-dichlorobenzene 10.69
    ethyl lactate 24.9
    propylene carbonate 95.12
    n-methylformamide 200.23
    2-pentanol 8.42
    n-pentane 0.17
    1-propoxy-2-propanol 53.49
    1-methoxy-2-propyl acetate 59.56
    2-(2-methoxypropoxy) propanol 64.38
    mesitylene 3.17
    ε-caprolactone 84.45
    p-cymene 6.84
    epichlorohydrin 252.26
    1,1,1-trichloroethane 8.12
    2-aminoethanol 20.1
    morpholine-4-carbaldehyde 331.6
    sulfolane 262.84
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 81.06
    n-hexyl acetate 48.07
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 96.37
    sec-butyl acetate 18.55
    tert-butyl acetate 32.92
    decalin 0.61
    glycerin 29.11
    diglyme 182.48
    acrylic acid 33.38
    isopropyl myristate 20.55
    n-butyric acid 36.76
    acetyl acetate 37.32
    di(2-ethylhexyl) phthalate 21.8
    ethyl propionate 32.13
    nitromethane 242.78
    1,2-diethoxyethane 61.66
    benzonitrile 28.19
    trioctyl phosphate 18.07
    1-bromopropane 4.99
    gamma-valerolactone 305.8
    n-decanol 16.01
    triethyl phosphate 19.66
    4-methyl-2-pentanol 7.96
    propionitrile 26.86
    vinylene carbonate 81.91
    1,1,2-trichlorotrifluoroethane 71.6
    DMS 49.76
    cumene 3.72
    2-octanol 11.33
    2-hexanone 34.57
    octyl acetate 28.09
    limonene 9.59
    1,2-dimethoxyethane 165.55
    ethyl orthosilicate 17.27
    tributyl phosphate 21.51
    diacetone alcohol 57.0
    N,N-dimethylaniline 18.02
    acrylonitrile 49.88
    aniline 11.87
    1,3-propanediol 38.4
    bromobenzene 5.34
    dibromomethane 5.8
    1,1,2,2-tetrachloroethane 17.35
    2-methyl-cyclohexyl acetate 29.33
    tetrabutyl urea 33.24
    diisobutyl methanol 11.01
    2-phenylethanol 26.67
    styrene 2.98
    dioctyl adipate 34.49
    dimethyl sulfate 92.98
    ethyl butyrate 32.64
    methyl lactate 39.06
    butyl lactate 29.88
    diethyl carbonate 24.35
    propanediol butyl ether 50.11
    triethyl orthoformate 25.5
    p-tert-butyltoluene 6.37
    methyl 4-tert-butylbenzoate 43.62
    morpholine 133.68
    tert-butylamine 8.93
    n-dodecanol 12.48
    dimethoxymethane 208.49
    ethylene carbonate 65.55
    cyrene 72.08
    2-ethoxyethyl acetate 63.85
    2-ethylhexyl acetate 23.25
    1,2,4-trichlorobenzene 16.2
    4-methylpyridine 40.29
    dibutyl ether 23.3
    2,6-dimethyl-4-heptanol 11.01
    DEF 80.8
    dimethyl isosorbide 139.05
    tetrachloroethylene 7.64
    eugenol 47.17
    triacetin 54.09
    span 80 46.08
    1,4-butanediol 14.27
    1,1-dichloroethane 8.81
    2-methyl-1-pentanol 14.41
    methyl formate 192.74
    2-methyl-1-butanol 13.58
    n-decane 1.31
    butyronitrile 24.96
    3,7-dimethyl-1-octanol 19.16
    1-chlorooctane 8.18
    1-chlorotetradecane 4.18
    n-nonane 1.01
    undecane 1.11
    tert-butylcyclohexane 0.7
    cyclooctane 0.14
    cyclopentanol 25.81
    tetrahydropyran 44.53
    tert-amyl methyl ether 13.16
    2,5,8-trioxanonane 130.69
    1-hexene 1.46
    2-isopropoxyethanol 38.52
    2,2,2-trifluoroethanol 26.06
    methyl butyrate 46.72

    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