Trigoforin

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  • Identifiers

    CAS number
    14002-93-8

    Molecular formula
    C12H12O2

    SMILES
    CC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 55.81%
    Phenolic 51.63%
    Tobacco 37.7%
    Coumarinic 36.72%
    Powdery 35.99%
    Spicy 34.73%
    Animal 34.61%
    Leathery 34.52%
    Musty 34.48%
    Burnt 34.02%

     

    Flavor
    Bitter 56.58%
    Phenolic 30.79%
    Flat 23.14%
    Very strong 22.28%
    Eugenol 21.93%
    Indole 21.93%
    Medicinal 21.66%
    Soybean 21.45%
    Parsley 21.41%
    Thymol 21.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.75 (neutral)

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Melting point expt.

    • 112 - 113 °C

    Flash point

    • 138.72 ˚C est.

  • Synonyms

    • Trigoforin
    • 3,4,7-trimethylcoumarin
    • 3,4,7-Trimethyl-2H-1-benzopyran-2-one
    • 14002-93-8
    • 3,4,7-TRIMETHYLCHROMEN-2-ONE
    • 3,4,7-trimethyl-2H-chromen-2-one
    • 3,4,7-trimethylcou-marin
    • Y4UNV6Q7L2
    • Coumarin, 3,4,7-trimethyl-
    • SCHEMBL3682321
    • SCHEMBL29406593
    • CHEBI:191532
    • DTXSID501288707
    • 2H-1-Benzopyran-2-one, 3,4,7-trimethyl-
    • 14002-93-8

  • Applications

    Trigoforin (CAS 14002-93-8) is used primarily as an intermediate in organic synthesis and as a solvent or co-solvent in industrial processing and formulations. It is also employed as a processing additive and stabilizer for plastics and coating materials, and as an additive in paint and ink systems to improve formulation properties. In cleaning and surface finishing, it may function as a chelating agent or processing aid. These typical applications reflect its roles in industrial manufacturing, plastics and polymer materials, coatings and inks, and cleaning, and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.06
    methanol 43.07
    isopropanol 43.78
    water 0.19
    ethyl acetate 120.31
    n-propanol 52.48
    acetone 139.73
    n-butanol 53.32
    acetonitrile 88.59
    DMF 471.84
    toluene 135.6
    isobutanol 49.17
    1,4-dioxane 358.56
    methyl acetate 144.8
    THF 394.83
    2-butanone 171.2
    n-pentanol 52.76
    sec-butanol 53.97
    n-hexane 11.65
    ethylene glycol 4.82
    NMP 232.09
    cyclohexane 17.64
    DMSO 99.67
    n-butyl acetate 137.18
    n-octanol 38.19
    chloroform 373.06
    n-propyl acetate 109.23
    acetic acid 65.1
    dichloromethane 454.56
    cyclohexanone 272.66
    propylene glycol 5.56
    isopropyl acetate 80.6
    DMAc 250.31
    2-ethoxyethanol 67.96
    isopentanol 57.09
    n-heptane 10.63
    ethyl formate 83.54
    1,2-dichloroethane 334.46
    n-hexanol 77.95
    2-methoxyethanol 91.28
    isobutyl acetate 77.57
    tetrachloromethane 51.94
    n-pentyl acetate 100.61
    transcutol 204.15
    n-heptanol 46.28
    ethylbenzene 80.8
    MIBK 83.18
    2-propoxyethanol 118.69
    tert-butanol 78.24
    MTBE 105.3
    2-butoxyethanol 83.44
    propionic acid 52.56
    o-xylene 84.59
    formic acid 17.81
    diethyl ether 130.5
    m-xylene 93.03
    p-xylene 123.73
    chlorobenzene 147.54
    dimethyl carbonate 62.41
    n-octane 6.5
    formamide 62.83
    cyclopentanone 300.83
    2-pentanone 125.83
    anisole 129.33
    cyclopentyl methyl ether 158.17
    gamma-butyrolactone 303.84
    1-methoxy-2-propanol 70.06
    pyridine 333.44
    3-pentanone 125.37
    furfural 263.19
    n-dodecane 4.61
    diethylene glycol 52.1
    diisopropyl ether 37.08
    tert-amyl alcohol 74.91
    acetylacetone 128.55
    n-hexadecane 5.61
    acetophenone 123.3
    methyl propionate 106.67
    isopentyl acetate 130.09
    trichloroethylene 571.34
    n-nonanol 38.85
    cyclohexanol 65.78
    benzyl alcohol 85.4
    2-ethylhexanol 55.55
    isooctanol 40.25
    dipropyl ether 74.27
    1,2-dichlorobenzene 142.39
    ethyl lactate 31.02
    propylene carbonate 133.9
    n-methylformamide 132.34
    2-pentanol 40.58
    n-pentane 8.64
    1-propoxy-2-propanol 78.45
    1-methoxy-2-propyl acetate 107.42
    2-(2-methoxypropoxy) propanol 76.49
    mesitylene 51.04
    ε-caprolactone 190.76
    p-cymene 45.06
    epichlorohydrin 415.2
    1,1,1-trichloroethane 213.97
    2-aminoethanol 15.14
    morpholine-4-carbaldehyde 287.99
    sulfolane 223.38
    2,2,4-trimethylpentane 6.81
    2-methyltetrahydrofuran 254.44
    n-hexyl acetate 116.21
    isooctane 5.3
    2-(2-butoxyethoxy)ethanol 100.38
    sec-butyl acetate 75.11
    tert-butyl acetate 100.24
    decalin 12.81
    glycerin 10.57
    diglyme 228.26
    acrylic acid 47.95
    isopropyl myristate 46.07
    n-butyric acid 80.31
    acetyl acetate 79.01
    di(2-ethylhexyl) phthalate 44.53
    ethyl propionate 90.74
    nitromethane 177.94
    1,2-diethoxyethane 121.8
    benzonitrile 122.72
    trioctyl phosphate 30.12
    1-bromopropane 137.49
    gamma-valerolactone 370.34
    n-decanol 29.12
    triethyl phosphate 47.56
    4-methyl-2-pentanol 32.09
    propionitrile 104.5
    vinylene carbonate 151.19
    1,1,2-trichlorotrifluoroethane 115.41
    DMS 102.29
    cumene 53.82
    2-octanol 36.84
    2-hexanone 114.02
    octyl acetate 55.95
    limonene 51.78
    1,2-dimethoxyethane 246.62
    ethyl orthosilicate 48.9
    tributyl phosphate 38.26
    diacetone alcohol 86.95
    N,N-dimethylaniline 92.28
    acrylonitrile 134.16
    aniline 111.39
    1,3-propanediol 34.13
    bromobenzene 149.46
    dibromomethane 248.23
    1,1,2,2-tetrachloroethane 339.57
    2-methyl-cyclohexyl acetate 85.08
    tetrabutyl urea 53.29
    diisobutyl methanol 35.25
    2-phenylethanol 104.64
    styrene 86.0
    dioctyl adipate 61.04
    dimethyl sulfate 82.05
    ethyl butyrate 93.7
    methyl lactate 26.25
    butyl lactate 49.68
    diethyl carbonate 65.65
    propanediol butyl ether 44.28
    triethyl orthoformate 65.64
    p-tert-butyltoluene 42.31
    methyl 4-tert-butylbenzoate 101.9
    morpholine 318.27
    tert-butylamine 53.07
    n-dodecanol 22.42
    dimethoxymethane 210.78
    ethylene carbonate 119.53
    cyrene 82.55
    2-ethoxyethyl acetate 127.88
    2-ethylhexyl acetate 107.58
    1,2,4-trichlorobenzene 146.8
    4-methylpyridine 303.5
    dibutyl ether 66.28
    2,6-dimethyl-4-heptanol 35.25
    DEF 180.14
    dimethyl isosorbide 163.4
    tetrachloroethylene 260.51
    eugenol 97.75
    triacetin 85.66
    span 80 60.51
    1,4-butanediol 14.5
    1,1-dichloroethane 209.69
    2-methyl-1-pentanol 60.26
    methyl formate 103.94
    2-methyl-1-butanol 56.98
    n-decane 8.37
    butyronitrile 93.82
    3,7-dimethyl-1-octanol 38.3
    1-chlorooctane 37.03
    1-chlorotetradecane 14.83
    n-nonane 7.47
    undecane 6.09
    tert-butylcyclohexane 12.38
    cyclooctane 5.95
    cyclopentanol 73.99
    tetrahydropyran 265.97
    tert-amyl methyl ether 81.07
    2,5,8-trioxanonane 142.46
    1-hexene 50.81
    2-isopropoxyethanol 64.23
    2,2,2-trifluoroethanol 35.78
    methyl butyrate 121.5

    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