(1,3-Phenylenedioxy)diacetic acid

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  • Identifiers

    CAS number
    102-39-6

    Molecular formula
    C10H10O6

    SMILES
    C1=CC(=CC(=C1)OCC(=O)O)OCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.61%
    Sweet 32.5%
    Sour 27.74%
    Nutty 25.71%
    Creamy 24.94%
    Caramellic 24.4%
    Fatty 23.69%
    Honey 23.18%
    Milky 22.74%
    Buttery 22.41%

     

    Flavor
    Odorless 52.28%
    Sour 40.39%
    Mild 32.06%
    Very mild 29.92%
    Sweet 28.18%
    Creamy 26.35%
    Faint 24.47%
    Musty 22.99%
    Bland 21.81%
    Caramel 21.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.98 (weak acid)

    Molecular weight
    226.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 225.32 ˚C est.

  • Synonyms

    • 102-39-6
    • (m-Phenylenedioxy)diacetic acid
    • Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis-
    • m-Phenylenedioxydi(acetic acid)
    • (1,3-Phenylenedioxy)diacetic acid
    • Acetic acid, (m-phenylenedioxy)di-
    • NSC-1855
    • EINECS 203-027-8
    • 30S88G4869
    • DTXSID40144513
    • UNII-30S88G4869
    • NSC 1855
    • BENZENE-1,3-DIOXYACETIC ACID
    • 1,3-(DICARBOXYMETHOXY)BENZENE
    • 2,2'-(1,3-PHENYLENEBIS(OXY))BIS(ACETIC ACID)
    • ACETIC ACID, 2,2'-(1,3-PHENYLENEBIS(OXY))BIS-
    • 2,2'-[1,3-Phenylenebis(oxy)]bis[acetic acid]
    • RefChem:196374
    • DTXCID0067004
    • resorcinol-o,o'-diacetic acid
    • 2-[3-(carboxymethoxy)phenoxy]acetic acid
    • 2,2'-(1,3-Phenylenebis(oxy))diacetic acid
    • RESORCINOL-O,O/'-DIACETIC ACID
    • 2,2'-[1,3-phenylenebis(oxy)]diacetic acid
    • MFCD00016696
    • Resorcinol Diacetic Acid
    • Acetic acid,2,2'-[1,3-phenylenebis(oxy)]bis-
    • Oprea1_092905
    • Oprea1_778572
    • m-phenylenedioxydi-acetic acid
    • SCHEMBL413254
    • SCHEMBL1937755
    • NSC1855
    • ZVMAGJJPTALGQB-UHFFFAOYSA-N
    • AKOS003233462
    • FR70498
    • AS-75746
    • 2,2'-(1,3-Phenylenebis(oxy))diaceticacid
    • CS-0128372
    • NS00023141
    • ST50409332
    • Acetic acid,2'-[1,3-phenylenebis(oxy)]bis-
    • D97751
    • F861496
    • Q27894340
    • Resorcinol diacetic acid 100 microg/mL in Acetonitrile
    • 102-39-6

  • Applications

    (1,3-Phenylenedioxy)diacetic acid (CAS 102-39-6) is primarily used as an organic synthesis intermediate and a versatile diacid building block in industry; it is employed in the production of polymers and specialty resins, including polyester and polyurethane formulations, where it can function as a co-monomer or crosslinking component in resin systems; in coatings and adhesives applications it serves as a resin precursor that supports network formation and adhesion; the diacid functionality also enables chelation or metal complex formation, supporting catalyst systems and advanced materials; and it may be evaluated as a precursor for electronic or optical polymer applications where tailored dielectric or stability properties are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.98
    methanol 121.07
    isopropanol 35.48
    water 6.49
    ethyl acetate 5.0
    n-propanol 32.64
    acetone 87.07
    n-butanol 19.59
    acetonitrile 16.2
    DMF 337.59
    toluene 0.58
    isobutanol 15.24
    1,4-dioxane 22.86
    methyl acetate 15.25
    THF 112.75
    2-butanone 27.94
    n-pentanol 11.47
    sec-butanol 23.16
    n-hexane 0.32
    ethylene glycol 58.3
    NMP 137.65
    cyclohexane 0.38
    DMSO 1399.23
    n-butyl acetate 4.24
    n-octanol 4.66
    chloroform 1.25
    n-propyl acetate 5.15
    acetic acid 28.08
    dichloromethane 2.22
    cyclohexanone 20.31
    propylene glycol 40.55
    isopropyl acetate 3.37
    DMAc 358.49
    2-ethoxyethanol 73.73
    isopentanol 13.37
    n-heptane 0.49
    ethyl formate 15.31
    1,2-dichloroethane 4.48
    n-hexanol 6.77
    2-methoxyethanol 175.58
    isobutyl acetate 1.58
    tetrachloromethane 0.52
    n-pentyl acetate 2.31
    transcutol 43.56
    n-heptanol 3.63
    ethylbenzene 0.87
    MIBK 6.2
    2-propoxyethanol 32.94
    tert-butanol 50.48
    MTBE 10.64
    2-butoxyethanol 12.53
    propionic acid 16.11
    o-xylene 1.35
    formic acid 75.6
    diethyl ether 7.21
    m-xylene 0.7
    p-xylene 1.22
    chlorobenzene 0.56
    dimethyl carbonate 10.48
    n-octane 0.24
    formamide 127.89
    cyclopentanone 42.08
    2-pentanone 12.35
    anisole 6.51
    cyclopentyl methyl ether 9.94
    gamma-butyrolactone 44.64
    1-methoxy-2-propanol 67.84
    pyridine 9.56
    3-pentanone 8.88
    furfural 33.54
    n-dodecane 0.27
    diethylene glycol 52.61
    diisopropyl ether 1.28
    tert-amyl alcohol 31.02
    acetylacetone 15.87
    n-hexadecane 0.29
    acetophenone 8.3
    methyl propionate 11.66
    isopentyl acetate 3.78
    trichloroethylene 3.99
    n-nonanol 4.53
    cyclohexanol 10.27
    benzyl alcohol 8.83
    2-ethylhexanol 3.8
    isooctanol 2.81
    dipropyl ether 4.88
    1,2-dichlorobenzene 1.01
    ethyl lactate 10.77
    propylene carbonate 10.77
    n-methylformamide 118.52
    2-pentanol 7.93
    n-pentane 0.3
    1-propoxy-2-propanol 17.62
    1-methoxy-2-propyl acetate 9.21
    2-(2-methoxypropoxy) propanol 24.59
    mesitylene 0.69
    ε-caprolactone 15.43
    p-cymene 1.43
    epichlorohydrin 34.24
    1,1,1-trichloroethane 1.37
    2-aminoethanol 68.58
    morpholine-4-carbaldehyde 83.92
    sulfolane 117.86
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 22.41
    n-hexyl acetate 4.38
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 23.91
    sec-butyl acetate 2.28
    tert-butyl acetate 5.23
    decalin 0.29
    glycerin 78.11
    diglyme 44.32
    acrylic acid 17.13
    isopropyl myristate 2.51
    n-butyric acid 11.23
    acetyl acetate 2.82
    di(2-ethylhexyl) phthalate 4.23
    ethyl propionate 5.41
    nitromethane 72.88
    1,2-diethoxyethane 7.55
    benzonitrile 3.96
    trioctyl phosphate 3.01
    1-bromopropane 1.9
    gamma-valerolactone 56.78
    n-decanol 3.6
    triethyl phosphate 5.16
    4-methyl-2-pentanol 3.96
    propionitrile 11.31
    vinylene carbonate 9.0
    1,1,2-trichlorotrifluoroethane 35.06
    DMS 5.54
    cumene 0.94
    2-octanol 2.22
    2-hexanone 7.96
    octyl acetate 3.48
    limonene 2.2
    1,2-dimethoxyethane 87.26
    ethyl orthosilicate 4.59
    tributyl phosphate 3.78
    diacetone alcohol 20.8
    N,N-dimethylaniline 7.74
    acrylonitrile 15.71
    aniline 3.84
    1,3-propanediol 59.75
    bromobenzene 0.36
    dibromomethane 1.35
    1,1,2,2-tetrachloroethane 4.87
    2-methyl-cyclohexyl acetate 4.93
    tetrabutyl urea 8.77
    diisobutyl methanol 2.58
    2-phenylethanol 5.96
    styrene 0.94
    dioctyl adipate 5.4
    dimethyl sulfate 35.02
    ethyl butyrate 4.81
    methyl lactate 21.93
    butyl lactate 5.53
    diethyl carbonate 4.28
    propanediol butyl ether 15.41
    triethyl orthoformate 5.22
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 10.26
    morpholine 49.37
    tert-butylamine 14.21
    n-dodecanol 2.83
    dimethoxymethane 76.0
    ethylene carbonate 7.31
    cyrene 26.5
    2-ethoxyethyl acetate 4.31
    2-ethylhexyl acetate 2.65
    1,2,4-trichlorobenzene 1.54
    4-methylpyridine 8.34
    dibutyl ether 3.6
    2,6-dimethyl-4-heptanol 2.58
    DEF 32.15
    dimethyl isosorbide 29.11
    tetrachloroethylene 3.29
    eugenol 11.16
    triacetin 7.15
    span 80 12.02
    1,4-butanediol 25.5
    1,1-dichloroethane 1.57
    2-methyl-1-pentanol 8.07
    methyl formate 65.49
    2-methyl-1-butanol 13.38
    n-decane 0.41
    butyronitrile 8.57
    3,7-dimethyl-1-octanol 4.23
    1-chlorooctane 1.26
    1-chlorotetradecane 0.7
    n-nonane 0.37
    undecane 0.33
    tert-butylcyclohexane 0.24
    cyclooctane 0.17
    cyclopentanol 16.65
    tetrahydropyran 11.93
    tert-amyl methyl ether 9.59
    2,5,8-trioxanonane 40.01
    1-hexene 1.18
    2-isopropoxyethanol 25.23
    2,2,2-trifluoroethanol 17.46
    methyl butyrate 9.83

    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