Hemipic acid

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  • Identifiers

    CAS number
    518-90-1

    Molecular formula
    C10H10O6

    SMILES
    COC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 49.69%
    Sweet 39.5%
    Phenolic 38.14%
    Vanilla 36.14%
    Balsamic 35.77%
    Creamy 33.4%
    Milky 30.82%
    Powdery 29.19%
    Sour 28.71%
    Dry 26.14%

     

    Flavor
    Odorless 46.28%
    Mild 30.24%
    Very mild 28.16%
    Faint 26.75%
    Phenolic 25.51%
    Bland 23.29%
    Powdery 22.78%
    Sour 21.82%
    Sweet 21.35%
    Seedy 20.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.08 (weak acid)

    Molecular weight
    226.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Melting point expt.

    • 181 °C

    Flash point

    • 187.13 ˚C est.

  • Synonyms

    • 3,4-Dimethoxyphthalic acid
    • 518-90-1
    • Hemipic acid
    • 3,4-Dimethoxy-1,2-benzenedicarboxylic acid
    • GF46H3Q77T
    • 3,4-DIMETHOXYBENZENE-1,2-DICARBOXYLIC ACID
    • EINECS 208-259-3
    • NSC-134534
    • 1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-
    • DTXSID30199739
    • NSC 134534
    • PHTHALIC ACID, 3,4-DIMETHOXY-
    • RefChem:783513
    • DTXCID40122230
    • 208-259-3
    • Hemipinic acid
    • Hemipinsaure
    • UNII-GF46H3Q77T
    • Oprea1_748262
    • SCHEMBL582414
    • 3,4-Dimethoxyphthalic acid #
    • CHEBI:174163
    • 3,4-DIMETHOXY-PHTHALIC ACID
    • NSC134534
    • AKOS000276743
    • EBC-618296
    • NS00032368
    • EN300-218744
    • Z2049998151
    • 518-90-1

  • Applications

    Hemipic acid (CAS 518-90-1) is mainly regarded as an intermediate in organic synthesis and may function as a chelating/complexing agent in various industrial formulations. It is commonly used as a chelating component in cleaning solutions and metal-finishing formulations, and can serve as an additive in coatings and inks to support metal control and stabilize pH. In the polymers/plastics arena, Hemipic acid may be employed as a processing aid or stabilizer, and it may be considered for applications in electronics and PCB manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.14
    methanol 20.09
    isopropanol 6.33
    water 0.68
    ethyl acetate 4.56
    n-propanol 7.74
    acetone 14.41
    n-butanol 5.4
    acetonitrile 6.57
    DMF 87.76
    toluene 1.42
    isobutanol 4.14
    1,4-dioxane 14.26
    methyl acetate 9.45
    THF 56.51
    2-butanone 10.97
    n-pentanol 4.84
    sec-butanol 5.4
    n-hexane 0.37
    ethylene glycol 17.66
    NMP 93.04
    cyclohexane 0.36
    DMSO 273.93
    n-butyl acetate 6.39
    n-octanol 4.73
    chloroform 4.16
    n-propyl acetate 4.49
    acetic acid 6.89
    dichloromethane 12.71
    cyclohexanone 13.75
    propylene glycol 5.47
    isopropyl acetate 2.9
    DMAc 92.67
    2-ethoxyethanol 22.25
    isopentanol 4.66
    n-heptane 0.59
    ethyl formate 5.34
    1,2-dichloroethane 15.01
    n-hexanol 6.38
    2-methoxyethanol 44.75
    isobutyl acetate 1.65
    tetrachloromethane 1.71
    n-pentyl acetate 4.76
    transcutol 12.41
    n-heptanol 5.21
    ethylbenzene 2.38
    MIBK 4.34
    2-propoxyethanol 20.99
    tert-butanol 11.26
    MTBE 4.73
    2-butoxyethanol 12.05
    propionic acid 6.01
    o-xylene 3.08
    formic acid 22.6
    diethyl ether 5.03
    m-xylene 1.87
    p-xylene 2.42
    chlorobenzene 2.09
    dimethyl carbonate 9.76
    n-octane 0.33
    formamide 52.76
    cyclopentanone 31.31
    2-pentanone 6.7
    anisole 8.06
    cyclopentyl methyl ether 11.93
    gamma-butyrolactone 36.57
    1-methoxy-2-propanol 19.88
    pyridine 11.61
    3-pentanone 6.66
    furfural 27.62
    n-dodecane 0.3
    diethylene glycol 28.34
    diisopropyl ether 1.28
    tert-amyl alcohol 9.37
    acetylacetone 8.2
    n-hexadecane 0.35
    acetophenone 9.86
    methyl propionate 9.7
    isopentyl acetate 5.55
    trichloroethylene 13.23
    n-nonanol 4.57
    cyclohexanol 4.96
    benzyl alcohol 7.64
    2-ethylhexanol 4.52
    isooctanol 3.78
    dipropyl ether 4.85
    1,2-dichlorobenzene 4.2
    ethyl lactate 5.68
    propylene carbonate 9.37
    n-methylformamide 36.5
    2-pentanol 3.14
    n-pentane 0.29
    1-propoxy-2-propanol 11.49
    1-methoxy-2-propyl acetate 8.8
    2-(2-methoxypropoxy) propanol 11.56
    mesitylene 1.52
    ε-caprolactone 13.08
    p-cymene 2.74
    epichlorohydrin 43.65
    1,1,1-trichloroethane 3.69
    2-aminoethanol 15.51
    morpholine-4-carbaldehyde 46.87
    sulfolane 86.3
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 17.95
    n-hexyl acetate 5.98
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 11.17
    sec-butyl acetate 2.5
    tert-butyl acetate 5.63
    decalin 0.53
    glycerin 17.39
    diglyme 24.54
    acrylic acid 7.28
    isopropyl myristate 2.79
    n-butyric acid 3.98
    acetyl acetate 2.87
    di(2-ethylhexyl) phthalate 4.25
    ethyl propionate 5.42
    nitromethane 23.84
    1,2-diethoxyethane 4.96
    benzonitrile 5.27
    trioctyl phosphate 3.82
    1-bromopropane 4.62
    gamma-valerolactone 29.64
    n-decanol 3.44
    triethyl phosphate 7.3
    4-methyl-2-pentanol 2.38
    propionitrile 5.67
    vinylene carbonate 7.88
    1,1,2-trichlorotrifluoroethane 28.82
    DMS 7.53
    cumene 2.18
    2-octanol 3.21
    2-hexanone 5.6
    octyl acetate 4.28
    limonene 3.55
    1,2-dimethoxyethane 35.89
    ethyl orthosilicate 6.1
    tributyl phosphate 3.43
    diacetone alcohol 13.27
    N,N-dimethylaniline 9.53
    acrylonitrile 9.63
    aniline 4.7
    1,3-propanediol 15.24
    bromobenzene 1.88
    dibromomethane 7.29
    1,1,2,2-tetrachloroethane 11.83
    2-methyl-cyclohexyl acetate 6.6
    tetrabutyl urea 6.59
    diisobutyl methanol 2.67
    2-phenylethanol 8.4
    styrene 2.04
    dioctyl adipate 4.73
    dimethyl sulfate 34.58
    ethyl butyrate 5.35
    methyl lactate 10.7
    butyl lactate 4.54
    diethyl carbonate 5.51
    propanediol butyl ether 7.03
    triethyl orthoformate 5.43
    p-tert-butyltoluene 2.54
    methyl 4-tert-butylbenzoate 12.26
    morpholine 22.17
    tert-butylamine 4.85
    n-dodecanol 2.52
    dimethoxymethane 38.25
    ethylene carbonate 6.06
    cyrene 18.13
    2-ethoxyethyl acetate 6.69
    2-ethylhexyl acetate 4.77
    1,2,4-trichlorobenzene 5.56
    4-methylpyridine 8.68
    dibutyl ether 2.83
    2,6-dimethyl-4-heptanol 2.67
    DEF 17.15
    dimethyl isosorbide 22.92
    tetrachloroethylene 10.21
    eugenol 11.1
    triacetin 6.26
    span 80 6.86
    1,4-butanediol 6.87
    1,1-dichloroethane 3.33
    2-methyl-1-pentanol 4.51
    methyl formate 23.16
    2-methyl-1-butanol 4.81
    n-decane 0.5
    butyronitrile 4.1
    3,7-dimethyl-1-octanol 3.47
    1-chlorooctane 2.18
    1-chlorotetradecane 0.94
    n-nonane 0.43
    undecane 0.39
    tert-butylcyclohexane 0.44
    cyclooctane 0.23
    cyclopentanol 9.29
    tetrahydropyran 7.45
    tert-amyl methyl ether 6.08
    2,5,8-trioxanonane 19.11
    1-hexene 1.34
    2-isopropoxyethanol 10.98
    2,2,2-trifluoroethanol 8.41
    methyl butyrate 7.27

    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