1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester

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  • Identifiers

    CAS number
    13036-02-7

    Molecular formula
    C10H10O5

    SMILES
    COC(=O)C1=CC(=CC(=C1)O)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 49.6%
    Floral 37.02%
    Phenolic 36.31%
    Fruity 36.02%
    Grape 34.45%
    Sweet 30.21%
    Aromatic 26.23%
    Winey 25.56%
    Vanilla 24.98%
    Green 24.69%

     

    Flavor
    Bitter 57.26%
    Odorless 32.3%
    Wintergreen 22.88%
    Bland 22.63%
    Herbal 22.06%
    Faint 21.92%
    Aniseed 21.91%
    Parsley 21.15%
    Ethyl benzoate 21.14%
    Orange flower 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.9 (weak acid)

    Molecular weight
    210.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Flash point

    • 155.44 ˚C est.

  • Synonyms

    • Dimethyl 5-hydroxyisophthalate
    • 13036-02-7
    • 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
    • 1,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethyl ester
    • 5-Hydroxyisophthalic acid, dimethyl ester
    • EINECS 235-899-0
    • DTXSID8065329
    • RefChem:412952
    • DTXCID4033972
    • 235-899-0
    • Dimethyl 5-hydroxybenzene-1,3-dicarboxylate
    • 5-Hydroxyisophthalic Acid Dimethyl Ester
    • MFCD00134367
    • 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate
    • dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
    • methyl 5-hydroxy-3-(methoxycarbonyl)benzoate
    • 5-Hydroxy-1,3-benzenedicarboxylic Acid 1,3-Dimethyl Ester; 5-Hydroxy-1,3-benzenedicarboxylic Acid Dimethyl Ester; 1-Hydroxy-3,5-bis(methoxycarbonyl)benzene; 3,5-Bis(methoxycarbonyl)phenol; 5-Hydroxyisophthalic Acid Dimethyl Ester; Dimethyl 5-Hydroxy-1,3-benzenedicarboxylate
    • dimethyl 5-hydroxyisophthlate
    • Oprea1_232737
    • SCHEMBL46504
    • Dimethyl-5-hydroxyisophthalate
    • dimethyl 5-hydroxy-isophthalate
    • Dimethyl-5-hydroxy-isophthalate
    • HMS1782D08
    • Dimethyl 5-hydroxyisophthalate, 98%
    • SBB000491
    • 5-hydroxyisophthalic acid dimethylester
    • AKOS001073423
    • CS-W008167
    • FH32322
    • NCGC00343062-01
    • 5-Hydroxy-isophthalic acid dimethyl ester
    • AC-13734
    • AS-12454
    • ST044489
    • SY032658
    • DB-041961
    • H1007
    • NS00024100
    • EN300-17122
    • AB01334951-02
    • F225665
    • Z56886641
    • 98W
    • InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H
    • 13036-02-7

  • Applications

    1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester (CAS 13036-02-7) is a multifunctional aromatic diester with a phenolic hydroxy group, commonly used as a chemical intermediate in polymer and resin chemistry. It can serve as a co-monomer or building block for specialty polyesters and crosslinked resin systems, providing rigid aromatic content and sites for further functionalization. In coatings and inks, it may act as a reactive monomer or crosslinking component for UV-curable formulations, contributing to durable films and adhesion. The phenolic OH also facilitates reactions with isocyanates, making it suitable for polyurethane and adhesive formulations. Additionally, it may be employed as an intermediate in pharmaceutical synthesis or other organic synthesis routes, and could be explored as a precursor for specialty plasticizers or stabilizers in polymer systems, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.83
    methanol 52.92
    isopropanol 22.81
    water 0.62
    ethyl acetate 46.8
    n-propanol 22.29
    acetone 114.96
    n-butanol 16.47
    acetonitrile 62.04
    DMF 326.95
    toluene 14.65
    isobutanol 11.74
    1,4-dioxane 94.91
    methyl acetate 80.16
    THF 215.82
    2-butanone 74.14
    n-pentanol 13.39
    sec-butanol 21.07
    n-hexane 0.75
    ethylene glycol 16.39
    NMP 336.33
    cyclohexane 1.15
    DMSO 421.99
    n-butyl acetate 26.95
    n-octanol 8.55
    chloroform 27.99
    n-propyl acetate 32.01
    acetic acid 60.96
    dichloromethane 65.31
    cyclohexanone 57.44
    propylene glycol 10.57
    isopropyl acetate 24.31
    DMAc 325.45
    2-ethoxyethanol 76.49
    isopentanol 15.38
    n-heptane 0.86
    ethyl formate 37.33
    1,2-dichloroethane 51.8
    n-hexanol 12.27
    2-methoxyethanol 114.94
    isobutyl acetate 9.9
    tetrachloromethane 3.93
    n-pentyl acetate 14.0
    transcutol 117.63
    n-heptanol 8.27
    ethylbenzene 13.26
    MIBK 20.56
    2-propoxyethanol 53.01
    tert-butanol 39.71
    MTBE 38.04
    2-butoxyethanol 26.96
    propionic acid 27.85
    o-xylene 15.58
    formic acid 73.3
    diethyl ether 42.46
    m-xylene 9.62
    p-xylene 14.37
    chlorobenzene 16.93
    dimethyl carbonate 47.29
    n-octane 0.43
    formamide 207.57
    cyclopentanone 132.89
    2-pentanone 41.46
    anisole 61.77
    cyclopentyl methyl ether 57.13
    gamma-butyrolactone 170.63
    1-methoxy-2-propanol 63.57
    pyridine 96.62
    3-pentanone 39.13
    furfural 158.02
    n-dodecane 0.39
    diethylene glycol 52.14
    diisopropyl ether 7.73
    tert-amyl alcohol 35.51
    acetylacetone 68.1
    n-hexadecane 0.46
    acetophenone 59.36
    methyl propionate 54.02
    isopentyl acetate 21.58
    trichloroethylene 79.68
    n-nonanol 8.34
    cyclohexanol 15.45
    benzyl alcohol 39.42
    2-ethylhexanol 9.76
    isooctanol 6.77
    dipropyl ether 16.93
    1,2-dichlorobenzene 20.79
    ethyl lactate 21.11
    propylene carbonate 58.06
    n-methylformamide 131.87
    2-pentanol 11.85
    n-pentane 0.75
    1-propoxy-2-propanol 33.31
    1-methoxy-2-propyl acetate 39.76
    2-(2-methoxypropoxy) propanol 40.48
    mesitylene 5.52
    ε-caprolactone 58.49
    p-cymene 7.47
    epichlorohydrin 166.2
    1,1,1-trichloroethane 17.44
    2-aminoethanol 25.19
    morpholine-4-carbaldehyde 218.22
    sulfolane 206.71
    2,2,4-trimethylpentane 0.81
    2-methyltetrahydrofuran 110.97
    n-hexyl acetate 20.46
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 41.81
    sec-butyl acetate 17.92
    tert-butyl acetate 34.16
    decalin 1.39
    glycerin 27.91
    diglyme 114.82
    acrylic acid 37.31
    isopropyl myristate 8.58
    n-butyric acid 22.26
    acetyl acetate 27.76
    di(2-ethylhexyl) phthalate 12.19
    ethyl propionate 33.25
    nitromethane 202.05
    1,2-diethoxyethane 36.78
    benzonitrile 31.21
    trioctyl phosphate 7.65
    1-bromopropane 16.5
    gamma-valerolactone 142.81
    n-decanol 5.97
    triethyl phosphate 20.3
    4-methyl-2-pentanol 7.18
    propionitrile 30.22
    vinylene carbonate 49.62
    1,1,2-trichlorotrifluoroethane 94.16
    DMS 31.99
    cumene 8.94
    2-octanol 5.24
    2-hexanone 29.67
    octyl acetate 11.98
    limonene 10.0
    1,2-dimethoxyethane 148.62
    ethyl orthosilicate 17.54
    tributyl phosphate 9.77
    diacetone alcohol 48.91
    N,N-dimethylaniline 49.02
    acrylonitrile 54.45
    aniline 35.32
    1,3-propanediol 30.51
    bromobenzene 14.34
    dibromomethane 28.86
    1,1,2,2-tetrachloroethane 51.23
    2-methyl-cyclohexyl acetate 23.39
    tetrabutyl urea 17.0
    diisobutyl methanol 6.18
    2-phenylethanol 28.75
    styrene 17.04
    dioctyl adipate 18.39
    dimethyl sulfate 99.6
    ethyl butyrate 29.19
    methyl lactate 33.67
    butyl lactate 14.06
    diethyl carbonate 24.75
    propanediol butyl ether 21.25
    triethyl orthoformate 22.51
    p-tert-butyltoluene 7.0
    methyl 4-tert-butylbenzoate 37.37
    morpholine 117.52
    tert-butylamine 17.07
    n-dodecanol 4.3
    dimethoxymethane 158.5
    ethylene carbonate 33.42
    cyrene 60.05
    2-ethoxyethyl acetate 30.47
    2-ethylhexyl acetate 17.31
    1,2,4-trichlorobenzene 28.2
    4-methylpyridine 83.43
    dibutyl ether 11.02
    2,6-dimethyl-4-heptanol 6.18
    DEF 86.2
    dimethyl isosorbide 81.94
    tetrachloroethylene 35.86
    eugenol 34.54
    triacetin 33.13
    span 80 21.9
    1,4-butanediol 13.82
    1,1-dichloroethane 22.18
    2-methyl-1-pentanol 14.16
    methyl formate 107.63
    2-methyl-1-butanol 15.39
    n-decane 0.73
    butyronitrile 21.63
    3,7-dimethyl-1-octanol 8.91
    1-chlorooctane 4.36
    1-chlorotetradecane 1.61
    n-nonane 0.64
    undecane 0.52
    tert-butylcyclohexane 1.1
    cyclooctane 0.52
    cyclopentanol 24.49
    tetrahydropyran 49.22
    tert-amyl methyl ether 36.53
    2,5,8-trioxanonane 74.31
    1-hexene 4.38
    2-isopropoxyethanol 42.64
    2,2,2-trifluoroethanol 35.96
    methyl butyrate 41.63

    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