Dimethyl isophthalate

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  • Identifiers

    CAS number
    1459-93-4

    Molecular formula
    C10H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 64.88%
    Floral 49.95%
    Sweet 46.45%
    Herbal 36.03%
    Winey 35.92%
    Grape 35.31%
    Odorless 34.49%
    Cherry 33.2%
    Phenolic 31.97%
    Anisic 29.59%

     

    Flavor
    Herbal 47.13%
    Balsam 42.79%
    Fruity 39.57%
    Sweet 38.67%
    Wintergreen 35.18%
    Bitter 32.25%
    Tobacco 32.04%
    Strawberry 31.94%
    Grape 28.49%
    Floral 28.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.19 (weak acid)

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 67.5 °C

    Boiling point

    • 282 °C

    Flash point

    • 130.14 ˚C est.
    • 280 °F (138 °C) (Closed cup)

    Solubility expt.

    • Slightly soluble in alcohol.
    • In water, 290 mg/L, temperature not specified

  • Synonyms

    • DIMETHYL ISOPHTHALATE
    • 1459-93-4
    • Dimethyl m-phthalate
    • Dimethyl benzene-1,3-dicarboxylate
    • Methyl isophthalate
    • Isophthalic acid dimethyl ester
    • Dimethyl 1,3-benzenedicarboxylate
    • Morflex 1129
    • 1,3-Benzenedicarboxylic acid, dimethyl ester
    • Isophthalic acid, dimethyl ester
    • Methyl 3-(carbomethoxy)benzoate
    • NSC 15313
    • 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
    • HSDB 6138
    • EINECS 215-951-9
    • Dimethylester kyseliny isoftalove
    • BRN 1912251
    • Dimethylester kyseliny isoftalove [Czech]
    • AI3-02247
    • UNII-2UY9Y3574K
    • Uniplex 270
    • DTXSID8027402
    • 2UY9Y3574K
    • NSC-15313
    • 4-09-00-03293 (Beilstein Handbook Reference)
    • DTXCID307402
    • EC 215-951-9
    • DIMETHYL ISOPHTHALATE [HSDB]
    • 1,3-BENZENEDICARBOXYLIC ACID,DIMETHYL ESTER
    • DIMETHYLESTER KYSELINY ISOFTALOVE (CZECH)
    • Dimethyl mphthalate
    • RefChem:134246
    • Methyl 3(carbomethoxy)benzoate
    • Dimethyl 1,3benzenedicarboxylate
    • METHYL 3-CARBOMETHOXYBENZOATE
    • 1,3Benzenedicarboxylic acid, dimethyl ester
    • 215-951-9
    • InChI=1/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H
    • VNGOYPQMJFJDLV-UHFFFAOYSA-N
    • Dimethylisophthalate
    • 1,3-dimethyl benzene-1,3-dicarboxylate
    • MFCD00008433
    • 1,3-Benzenedicarboxylic acid dimethyl ester
    • Isophthalic acid, bis-methyl ester
    • WLN: 1OVR CVO1
    • TimTec1_000710
    • NSC15313
    • NCGC00164080-01
    • NCI60_008161
    • ST010169
    • methyl 3-(methoxycarbonyl)benzoate
    • CAS-1459-93-4
    • benzene-1,3-dicarboxylic acid dimethyl ester
    • SCHEMBL34953
    • SCHEMBL127720
    • SCHEMBL128693
    • SCHEMBL300172
    • 194239_ALDRICH
    • orb2939768
    • orb3025648
    • 1,3-Di(methoxycarbonyl)benzene
    • CHEMBL2010300
    • HMS1536A06
    • Tox21_201345
    • Tox21_303209
    • SBB060563
    • STK431255
    • ZINC00061511
    • AKOS003306018
    • CS-W015744
    • FD38083
    • HY-W015028
    • MSK158367-1000M
    • NCGC00164080-02
    • NCGC00164080-03
    • NCGC00257185-01
    • NCGC00258897-01
    • AC-19625
    • BS-15142
    • Dimethyl isophthalate, analytical standard
    • SY042563
    • Dimethyl isophthalate, ReagentPlus(R), 99%
    • I0157
    • NS00006739
    • EN300-83819
    • Dimethyl isophthalate, purum, >=98.0% (GC)
    • F241070
    • doi:10.14272/VNGOYPQMJFJDLV-UHFFFAOYSA-N.1
    • BRD-K66232078-001-01-0
    • Dimethyl isophthalate Solution in Methanol, 1000ug/mL
    • Dimethyl isophthalate, Vetec(TM) reagent grade, 98%
    • Q27255627
    • F0001-0520
    • Dimethyl isophthalate, TraceCERT(R), certified reference material
    • 1459-93-4

  • Applications

    Dimethyl isophthalate, CAS number: 1459-93-4, is primarily used as a diester monomer and intermediate in polymer synthesis. It serves as a building block for polyesters and copolyesters used in engineering plastics and specialty packaging, enabling control of Tg and crystallinity. It is also employed in the production of alkyd resins for coatings and paints, where its rigid aromatic isophthalate unit improves hardness and solvent resistance. It is a precursor for specialty polyurethanes and polyester resins used in adhesives and sealants. It can be incorporated into UV-curable resin systems for coatings and inks, including electronics and graphic arts applications. Overall, dimethyl isophthalate is a versatile building block in the manufacture of high-performance polymers, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.35
    methanol 54.64
    isopropanol 29.54
    water 0.39
    ethyl acetate 133.68
    n-propanol 30.11
    acetone 266.08
    n-butanol 26.16
    acetonitrile 163.9
    DMF 752.58
    toluene 73.43
    isobutanol 20.09
    1,4-dioxane 188.08
    methyl acetate 164.22
    THF 316.46
    2-butanone 161.86
    n-pentanol 27.29
    sec-butanol 31.57
    n-hexane 5.97
    ethylene glycol 22.54
    NMP 667.4
    cyclohexane 8.12
    DMSO 780.45
    n-butyl acetate 99.15
    n-octanol 16.78
    chloroform 354.03
    n-propyl acetate 99.13
    acetic acid 152.08
    dichloromethane 487.67
    cyclohexanone 192.48
    propylene glycol 17.3
    isopropyl acetate 78.66
    DMAc 485.11
    2-ethoxyethanol 121.66
    isopentanol 27.54
    n-heptane 4.08
    ethyl formate 109.91
    1,2-dichloroethane 329.5
    n-hexanol 26.97
    2-methoxyethanol 159.6
    isobutyl acetate 34.23
    tetrachloromethane 48.26
    n-pentyl acetate 54.09
    transcutol 371.37
    n-heptanol 16.78
    ethylbenzene 54.97
    MIBK 69.85
    2-propoxyethanol 100.8
    tert-butanol 55.2
    MTBE 81.82
    2-butoxyethanol 57.42
    propionic acid 77.64
    o-xylene 69.9
    formic acid 118.21
    diethyl ether 99.21
    m-xylene 53.29
    p-xylene 60.92
    chlorobenzene 137.81
    dimethyl carbonate 138.84
    n-octane 1.57
    formamide 341.39
    cyclopentanone 326.64
    2-pentanone 123.68
    anisole 173.75
    cyclopentyl methyl ether 128.79
    gamma-butyrolactone 454.2
    1-methoxy-2-propanol 109.45
    pyridine 276.21
    3-pentanone 116.88
    furfural 491.16
    n-dodecane 1.18
    diethylene glycol 90.17
    diisopropyl ether 30.29
    tert-amyl alcohol 56.97
    acetylacetone 223.7
    n-hexadecane 1.48
    acetophenone 185.54
    methyl propionate 147.33
    isopentyl acetate 71.52
    trichloroethylene 672.75
    n-nonanol 16.64
    cyclohexanol 34.51
    benzyl alcohol 108.47
    2-ethylhexanol 23.73
    isooctanol 15.0
    dipropyl ether 48.29
    1,2-dichlorobenzene 156.74
    ethyl lactate 59.77
    propylene carbonate 198.77
    n-methylformamide 301.53
    2-pentanol 24.41
    n-pentane 5.03
    1-propoxy-2-propanol 74.04
    1-methoxy-2-propyl acetate 126.91
    2-(2-methoxypropoxy) propanol 94.49
    mesitylene 34.01
    ε-caprolactone 180.34
    p-cymene 28.52
    epichlorohydrin 478.75
    1,1,1-trichloroethane 174.97
    2-aminoethanol 33.22
    morpholine-4-carbaldehyde 462.49
    sulfolane 618.03
    2,2,4-trimethylpentane 4.67
    2-methyltetrahydrofuran 191.84
    n-hexyl acetate 69.31
    isooctane 2.47
    2-(2-butoxyethoxy)ethanol 97.65
    sec-butyl acetate 56.51
    tert-butyl acetate 103.36
    decalin 7.84
    glycerin 46.76
    diglyme 287.83
    acrylic acid 120.05
    isopropyl myristate 26.41
    n-butyric acid 71.62
    acetyl acetate 109.48
    di(2-ethylhexyl) phthalate 33.59
    ethyl propionate 100.74
    nitromethane 541.19
    1,2-diethoxyethane 119.8
    benzonitrile 136.42
    trioctyl phosphate 20.57
    1-bromopropane 99.26
    gamma-valerolactone 374.76
    n-decanol 11.86
    triethyl phosphate 56.53
    4-methyl-2-pentanol 16.95
    propionitrile 87.51
    vinylene carbonate 203.58
    1,1,2-trichlorotrifluoroethane 318.94
    DMS 119.28
    cumene 34.97
    2-octanol 12.4
    2-hexanone 89.91
    octyl acetate 35.6
    limonene 37.61
    1,2-dimethoxyethane 255.28
    ethyl orthosilicate 48.25
    tributyl phosphate 31.07
    diacetone alcohol 107.76
    N,N-dimethylaniline 130.61
    acrylonitrile 179.94
    aniline 113.09
    1,3-propanediol 43.1
    bromobenzene 141.49
    dibromomethane 261.06
    1,1,2,2-tetrachloroethane 425.59
    2-methyl-cyclohexyl acetate 66.6
    tetrabutyl urea 46.32
    diisobutyl methanol 17.01
    2-phenylethanol 82.07
    styrene 82.6
    dioctyl adipate 52.64
    dimethyl sulfate 295.79
    ethyl butyrate 82.08
    methyl lactate 90.14
    butyl lactate 48.47
    diethyl carbonate 64.88
    propanediol butyl ether 50.08
    triethyl orthoformate 61.05
    p-tert-butyltoluene 26.97
    methyl 4-tert-butylbenzoate 106.41
    morpholine 211.77
    tert-butylamine 33.15
    n-dodecanol 8.59
    dimethoxymethane 282.37
    ethylene carbonate 130.43
    cyrene 131.48
    2-ethoxyethyl acetate 106.23
    2-ethylhexyl acetate 60.04
    1,2,4-trichlorobenzene 190.01
    4-methylpyridine 245.46
    dibutyl ether 32.27
    2,6-dimethyl-4-heptanol 17.01
    DEF 230.54
    dimethyl isosorbide 194.02
    tetrachloroethylene 298.81
    eugenol 98.72
    triacetin 116.16
    span 80 57.96
    1,4-butanediol 24.36
    1,1-dichloroethane 179.62
    2-methyl-1-pentanol 30.1
    methyl formate 253.98
    2-methyl-1-butanol 26.57
    n-decane 2.2
    butyronitrile 65.93
    3,7-dimethyl-1-octanol 20.72
    1-chlorooctane 15.54
    1-chlorotetradecane 5.3
    n-nonane 2.1
    undecane 1.57
    tert-butylcyclohexane 6.33
    cyclooctane 3.93
    cyclopentanol 47.93
    tetrahydropyran 111.13
    tert-amyl methyl ether 79.29
    2,5,8-trioxanonane 177.63
    1-hexene 24.46
    2-isopropoxyethanol 78.56
    2,2,2-trifluoroethanol 111.75
    methyl butyrate 125.83

    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