Melilotic anhydride

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  • Identifiers

    CAS number
    63938-14-7

    Molecular formula
    C18H14O5

    SMILES
    C1=CC=C(C(=C1)/C=C/C(=O)OC(=O)/C=C/C2=CC=CC=C2O)O

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 53.5%
    Odorless 44.48%
    Spicy 42.64%
    Phenolic 38.96%
    Aromatic 26.73%
    Burnt 25.97%
    Vanilla 24.26%
    Sweet 23.06%
    Warm 22.23%
    Bitter 21.43%

     

    Flavor
    Bitter 49.39%
    Odorless 46.71%
    Mild 28.07%
    Faint 26.72%
    Balsam 23.87%
    Very mild 23.66%
    Nitrile 21.92%
    Urine 21.67%
    Ethyl benzoate 20.92%
    Orange flower 20.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.62 (neutral)

    Molecular weight
    310.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    630°C

    Flash point

    • 237.02 ˚C est.

  • Synonyms

    • Melilotic anhydride
    • Cinnamic acid anhydride, o-hydroxy-
    • 63938-14-7
    • 2-Propenoic acid, 3-(2-hydroxyphenyl)-, anhydride
    • RefChem:351968
    • SCHEMBL28343398
    • DTXSID101031649
    • 63938-14-7

  • Applications

    Melilotic anhydride (CAS 63938-14-7) is used as an important organic intermediate in the synthesis of specialty polymers and resins, functioning as a monomer or comonomer for polyester and epoxy systems; it acts as a crosslinking agent in industrial coatings, varnishes, and adhesives; it serves as a precursor for pharmaceutical and agrochemical syntheses; and it is evaluated for use as a functional building block in plastic and coating formulations to improve interfacial bonding and mechanical properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.8
    methanol 6.06
    isopropanol 2.57
    water 0.02
    ethyl acetate 11.21
    n-propanol 3.86
    acetone 23.79
    n-butanol 2.53
    acetonitrile 6.46
    DMF 123.51
    toluene 1.86
    isobutanol 1.94
    1,4-dioxane 32.71
    methyl acetate 21.67
    THF 176.91
    2-butanone 28.06
    n-pentanol 2.75
    sec-butanol 4.57
    n-hexane 0.09
    ethylene glycol 2.89
    NMP 125.19
    cyclohexane 0.04
    DMSO 244.87
    n-butyl acetate 6.84
    n-octanol 1.31
    chloroform 4.84
    n-propyl acetate 6.76
    acetic acid 10.6
    dichloromethane 6.79
    cyclohexanone 21.42
    propylene glycol 6.15
    isopropyl acetate 8.05
    DMAc 198.92
    2-ethoxyethanol 25.58
    isopentanol 2.38
    n-heptane 0.17
    ethyl formate 5.51
    1,2-dichloroethane 8.23
    n-hexanol 1.8
    2-methoxyethanol 46.66
    isobutyl acetate 2.73
    tetrachloromethane 0.3
    n-pentyl acetate 3.68
    transcutol 97.16
    n-heptanol 1.56
    ethylbenzene 1.46
    MIBK 6.5
    2-propoxyethanol 25.57
    tert-butanol 4.81
    MTBE 8.02
    2-butoxyethanol 10.34
    propionic acid 10.05
    o-xylene 1.74
    formic acid 9.17
    diethyl ether 6.47
    m-xylene 1.2
    p-xylene 1.59
    chlorobenzene 2.62
    dimethyl carbonate 21.0
    n-octane 0.08
    formamide 38.32
    cyclopentanone 72.53
    2-pentanone 11.59
    anisole 11.73
    cyclopentyl methyl ether 16.29
    gamma-butyrolactone 102.81
    1-methoxy-2-propanol 36.02
    pyridine 21.95
    3-pentanone 11.52
    furfural 50.04
    n-dodecane 0.1
    diethylene glycol 21.4
    diisopropyl ether 1.71
    tert-amyl alcohol 6.5
    acetylacetone 30.48
    n-hexadecane 0.11
    acetophenone 11.04
    methyl propionate 20.27
    isopentyl acetate 6.14
    trichloroethylene 21.01
    n-nonanol 1.59
    cyclohexanol 2.85
    benzyl alcohol 7.14
    2-ethylhexanol 1.7
    isooctanol 1.51
    dipropyl ether 6.6
    1,2-dichlorobenzene 3.3
    ethyl lactate 8.69
    propylene carbonate 20.22
    n-methylformamide 36.82
    2-pentanol 2.4
    n-pentane 0.06
    1-propoxy-2-propanol 18.22
    1-methoxy-2-propyl acetate 22.52
    2-(2-methoxypropoxy) propanol 23.27
    mesitylene 0.81
    ε-caprolactone 22.58
    p-cymene 1.2
    epichlorohydrin 104.35
    1,1,1-trichloroethane 3.0
    2-aminoethanol 6.71
    morpholine-4-carbaldehyde 100.67
    sulfolane 175.56
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 34.39
    n-hexyl acetate 4.87
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 23.97
    sec-butyl acetate 5.27
    tert-butyl acetate 12.62
    decalin 0.14
    glycerin 16.12
    diglyme 58.08
    acrylic acid 12.02
    isopropyl myristate 3.15
    n-butyric acid 6.64
    acetyl acetate 8.5
    di(2-ethylhexyl) phthalate 3.66
    ethyl propionate 9.47
    nitromethane 66.0
    1,2-diethoxyethane 22.36
    benzonitrile 4.82
    trioctyl phosphate 2.15
    1-bromopropane 1.94
    gamma-valerolactone 90.31
    n-decanol 1.28
    triethyl phosphate 7.49
    4-methyl-2-pentanol 1.66
    propionitrile 5.66
    vinylene carbonate 14.98
    1,1,2-trichlorotrifluoroethane 44.02
    DMS 15.36
    cumene 0.99
    2-octanol 1.05
    2-hexanone 7.2
    octyl acetate 3.46
    limonene 1.58
    1,2-dimethoxyethane 49.18
    ethyl orthosilicate 6.74
    tributyl phosphate 3.23
    diacetone alcohol 19.95
    N,N-dimethylaniline 7.53
    acrylonitrile 11.26
    aniline 5.84
    1,3-propanediol 7.6
    bromobenzene 2.29
    dibromomethane 2.38
    1,1,2,2-tetrachloroethane 17.85
    2-methyl-cyclohexyl acetate 6.94
    tetrabutyl urea 5.89
    diisobutyl methanol 2.01
    2-phenylethanol 5.64
    styrene 1.9
    dioctyl adipate 7.22
    dimethyl sulfate 60.05
    ethyl butyrate 8.67
    methyl lactate 21.22
    butyl lactate 6.16
    diethyl carbonate 6.89
    propanediol butyl ether 9.13
    triethyl orthoformate 9.89
    p-tert-butyltoluene 1.29
    methyl 4-tert-butylbenzoate 14.18
    morpholine 49.08
    tert-butylamine 1.7
    n-dodecanol 1.03
    dimethoxymethane 66.69
    ethylene carbonate 10.4
    cyrene 27.77
    2-ethoxyethyl acetate 13.34
    2-ethylhexyl acetate 4.95
    1,2,4-trichlorobenzene 6.61
    4-methylpyridine 13.81
    dibutyl ether 4.18
    2,6-dimethyl-4-heptanol 2.01
    DEF 26.72
    dimethyl isosorbide 59.6
    tetrachloroethylene 6.69
    eugenol 12.67
    triacetin 16.6
    span 80 11.26
    1,4-butanediol 3.16
    1,1-dichloroethane 3.07
    2-methyl-1-pentanol 2.86
    methyl formate 23.6
    2-methyl-1-butanol 2.79
    n-decane 0.14
    butyronitrile 3.2
    3,7-dimethyl-1-octanol 1.79
    1-chlorooctane 0.81
    1-chlorotetradecane 0.44
    n-nonane 0.11
    undecane 0.12
    tert-butylcyclohexane 0.15
    cyclooctane 0.04
    cyclopentanol 6.59
    tetrahydropyran 12.84
    tert-amyl methyl ether 9.2
    2,5,8-trioxanonane 47.7
    1-hexene 0.61
    2-isopropoxyethanol 14.28
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 10.03

    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