Dimethyl terephthalate

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  • Identifiers

    CAS number
    120-61-6

    Molecular formula
    C10H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 54.74%
    Floral 48.43%
    Sweet 41.82%
    Odorless 40.44%
    Grape 35.44%
    Phenolic 34.42%
    Winey 34.2%
    Herbal 33.22%
    Cherry 30.63%
    Anisic 30.18%

     

    Flavor
    Balsam 44.52%
    Sweet 44.35%
    Herbal 43.73%
    Fruity 42.63%
    Wintergreen 37.7%
    Strawberry 35.6%
    Bitter 32.64%
    Grape 32.59%
    Floral 31.9%
    Tobacco 31.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.92 (weak acid)

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 284 to 288 °F (NTP, 1992)
    • 141 °C
    • Heat of fusion at melting point = 3.1630X10+7 J/kmol
    • 140 °C

    Boiling point

    • 572 °F at 760 mmHg (sublimes) (NTP, 1992)
    • 288 °C

    Flash point

    • 132.04 ˚C est.
    • 308 °F (NTP, 1992)
    • 141 °C
    • 146 °C OC
    • 308 °F (153 °C) (Open cup)
    • 141 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 55 °F (NTP, 1992)
    • Soluble in ether and hot alcohol
    • Soluble in chloroform; slightly soluble in ethanol. methanol
    • 0.3 G/ML IN HOT WATER
    • In water, 19 mg/L at 25 °C
    • Solubility in water at 13 °C: very poor

  • Synonyms

    • DIMETHYL TEREPHTHALATE
    • 120-61-6
    • Dimethyl p-phthalate
    • Dimethyl 4-phthalate
    • 1,4-Benzenedicarboxylic acid, dimethyl ester
    • Di-Me terephthalate
    • Dimethyl 1,4-benzenedicarboxylate
    • Dimethyl p-benzenedicarboxylate
    • dimethyl benzene-1,4-dicarboxylate
    • Terephthalic Acid Dimethyl Ester
    • Terephthalic acid, dimethyl ester
    • Methyl 4-carbomethoxybenzoate
    • Methyl p-(methoxycarbonyl)benzoate
    • NCI-C50055
    • NSC 3503
    • 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester
    • CCRIS 266
    • Terephthalic acid methyl ester
    • Terephthalate, dimethyl
    • Methyl 4-(carbomethoxy)benzoate
    • HSDB 2580
    • UNII-IKZ2470UNV
    • 1,4-Benzenedicarboxylic acid dimethyl ester
    • EINECS 204-411-8
    • MFCD00008440
    • 1,4-dimethyl benzene-1,4-dicarboxylate
    • DTXSID0020498
    • Dimethylester kyseliny tereftalove [Czech]
    • AI3-02246
    • di-methyl terephthalate
    • NSC-3503
    • DIMETYHL TEREPHTHALATE
    • IKZ2470UNV
    • DTXCID60498
    • Dimethyl ester of 1,4-benzenedicarboxylic acid
    • CHEBI:156286
    • EC 204-411-8
    • Terephthalic acid, bis-methyl ester
    • DIMETHYL TEREPHTHALATE [HSDB]
    • dimethylterephthalate
    • 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTERWI
    • CAS-120-61-6
    • dimethyl terphthalate
    • DIMETHYLESTER KYSELINY TEREFTALOVE (CZECH)
    • TEREPHTHALIC ACID DIMETHYL ESTER (D6)
    • DiMe terephthalate
    • Dimethyl pphthalate
    • Dimethyl 4phthalate
    • dimethyl terephtalate
    • Di-me terephthalic acid
    • Dimethyl p-phthalic acid
    • Dimethyl 4-phthalic acid
    • dimethyl terephthalic acid
    • Methyl 4carbomethoxybenzoate
    • terephthalate dimethyl ester
    • WLN: 1OVR DVO1
    • TimTec1_001016
    • Dimethyl pbenzenedicarboxylate
    • SCHEMBL23600
    • terephtalic acid dimethylester
    • Terephthalate, dimethyl ester
    • terephthalic acid dimethylester
    • CHEMBL1870757
    • Dimethyl 1,4benzenedicarboxylate
    • Methyl p(methoxycarbonyl)benzoate
    • Methyl 4-carbomethoxybenzoic acid
    • NSC3503
    • Dimethyl p-benzenedicarboxylic acid
    • HMS1536O04
    • HY-Y0383
    • Tox21_202268
    • Tox21_300139
    • STL453626
    • Dimethyl 1,4-benzenedicarboxylic acid
    • AKOS008902273
    • Methyl p-(methoxycarbonyl)benzoic acid
    • FD62599
    • 1,4-Benzenedicarboxylate dimethyl ester
    • NCGC00164075-01
    • NCGC00164075-02
    • NCGC00164075-03
    • NCGC00164075-04
    • NCGC00254036-01
    • NCGC00259817-01
    • AS-12906
    • SY010818
    • Dimethyl terephthalate, analytical standard
    • 1,4Benzenedicarboxylic acid, dimethyl ester
    • 1,4-Dimethyl benzene-1,4-dicarboxylic acid
    • benzene-1,4-dicarboxylic acid dimethyl ester
    • CS-0015109
    • NS00002929
    • T0015
    • TEREPHTHALIC ACID DIMETHYL ESTER [MI]
    • 1,4-Benzenedicarboxylate, 1,4-dimethyl ester
    • EN300-15446
    • 1,4Benzenedicarboxylic acid, 1,4dimethyl ester
    • Dimethyl terephthalate, purum, >=99.0% (GC)
    • Dimethyl terephthalate, ReagentPlus(R), >=99%
    • AQ-776/41343666
    • Q421276
    • BRD-K35424448-001-01-4
    • Dimethyl terephthalate, Vetec(TM) reagent grade, 98%
    • Z16251478
    • F0001-0330
    • Dimethyl terephthalate, Standard for quantitative NMR, TraceCERT(R)
    • 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER (TEREPHTHALATEDIMETHYLESTER)
    • 204-411-8

  • Applications

    Dimethyl terephthalate (CAS 120-61-6) is predominantly used as a monomer and industrial intermediate for polyethylene terephthalate (PET) production via transesterification with ethylene glycol, providing PET resins for beverage bottles, film, and textile fibers; it also serves as a key feedstock for polyester resins used in coatings and inks and for specialty packaging films, with PET and related polyesters derived from it supplying electronics-grade dielectric films.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.11
    methanol 7.44
    isopropanol 6.26
    water 0.09
    ethyl acetate 43.22
    n-propanol 4.76
    acetone 46.53
    n-butanol 5.75
    acetonitrile 32.44
    DMF 111.94
    toluene 15.7
    isobutanol 5.18
    1,4-dioxane 75.83
    methyl acetate 46.54
    THF 69.32
    2-butanone 43.31
    n-pentanol 8.45
    sec-butanol 7.89
    n-hexane 3.97
    ethylene glycol 3.25
    NMP 97.57
    cyclohexane 2.97
    DMSO 101.03
    n-butyl acetate 39.0
    n-octanol 7.15
    chloroform 228.75
    n-propyl acetate 40.46
    acetic acid 30.06
    dichloromethane 166.42
    cyclohexanone 43.42
    propylene glycol 2.65
    isopropyl acetate 35.85
    DMAc 121.08
    2-ethoxyethanol 39.95
    isopentanol 8.64
    n-heptane 2.55
    ethyl formate 25.58
    1,2-dichloroethane 110.49
    n-hexanol 12.03
    2-methoxyethanol 37.75
    isobutyl acetate 20.33
    tetrachloromethane 29.28
    n-pentyl acetate 25.71
    transcutol 82.84
    n-heptanol 8.61
    ethylbenzene 20.83
    MIBK 31.11
    2-propoxyethanol 42.16
    tert-butanol 20.97
    MTBE 40.63
    2-butoxyethanol 25.84
    propionic acid 15.7
    o-xylene 22.6
    formic acid 15.88
    diethyl ether 36.9
    m-xylene 16.08
    p-xylene 26.1
    chlorobenzene 35.84
    dimethyl carbonate 40.41
    n-octane 1.67
    formamide 41.92
    cyclopentanone 66.3
    2-pentanone 35.78
    anisole 58.71
    cyclopentyl methyl ether 38.76
    gamma-butyrolactone 88.32
    1-methoxy-2-propanol 29.44
    pyridine 52.14
    3-pentanone 42.49
    furfural 105.99
    n-dodecane 1.23
    diethylene glycol 34.06
    diisopropyl ether 16.56
    tert-amyl alcohol 25.27
    acetylacetone 70.84
    n-hexadecane 1.48
    acetophenone 60.18
    methyl propionate 42.63
    isopentyl acetate 37.25
    trichloroethylene 268.13
    n-nonanol 8.08
    cyclohexanol 9.8
    benzyl alcohol 28.99
    2-ethylhexanol 12.72
    isooctanol 8.58
    dipropyl ether 23.76
    1,2-dichlorobenzene 55.9
    ethyl lactate 23.55
    propylene carbonate 51.02
    n-methylformamide 37.59
    2-pentanol 7.48
    n-pentane 1.9
    1-propoxy-2-propanol 31.48
    1-methoxy-2-propyl acetate 55.7
    2-(2-methoxypropoxy) propanol 39.28
    mesitylene 13.88
    ε-caprolactone 47.12
    p-cymene 15.33
    epichlorohydrin 131.88
    1,1,1-trichloroethane 117.07
    2-aminoethanol 5.27
    morpholine-4-carbaldehyde 119.15
    sulfolane 138.46
    2,2,4-trimethylpentane 3.17
    2-methyltetrahydrofuran 49.98
    n-hexyl acetate 28.17
    isooctane 1.96
    2-(2-butoxyethoxy)ethanol 38.14
    sec-butyl acetate 30.42
    tert-butyl acetate 59.57
    decalin 4.81
    glycerin 10.58
    diglyme 100.96
    acrylic acid 20.59
    isopropyl myristate 15.56
    n-butyric acid 19.86
    acetyl acetate 38.43
    di(2-ethylhexyl) phthalate 15.75
    ethyl propionate 42.98
    nitromethane 108.15
    1,2-diethoxyethane 50.75
    benzonitrile 33.48
    trioctyl phosphate 10.85
    1-bromopropane 34.02
    gamma-valerolactone 98.43
    n-decanol 6.54
    triethyl phosphate 31.05
    4-methyl-2-pentanol 8.01
    propionitrile 19.48
    vinylene carbonate 51.11
    1,1,2-trichlorotrifluoroethane 116.09
    DMS 47.4
    cumene 16.92
    2-octanol 7.47
    2-hexanone 38.45
    octyl acetate 17.38
    limonene 18.23
    1,2-dimethoxyethane 107.72
    ethyl orthosilicate 28.4
    tributyl phosphate 15.56
    diacetone alcohol 50.11
    N,N-dimethylaniline 49.44
    acrylonitrile 33.67
    aniline 22.94
    1,3-propanediol 9.98
    bromobenzene 37.47
    dibromomethane 90.36
    1,1,2,2-tetrachloroethane 211.42
    2-methyl-cyclohexyl acetate 33.69
    tetrabutyl urea 22.41
    diisobutyl methanol 12.11
    2-phenylethanol 30.54
    styrene 23.89
    dioctyl adipate 23.51
    dimethyl sulfate 94.93
    ethyl butyrate 35.63
    methyl lactate 27.15
    butyl lactate 19.94
    diethyl carbonate 30.23
    propanediol butyl ether 17.06
    triethyl orthoformate 32.29
    p-tert-butyltoluene 15.98
    methyl 4-tert-butylbenzoate 49.19
    morpholine 57.01
    tert-butylamine 13.64
    n-dodecanol 5.38
    dimethoxymethane 72.79
    ethylene carbonate 37.89
    cyrene 47.83
    2-ethoxyethyl acetate 43.26
    2-ethylhexyl acetate 31.69
    1,2,4-trichlorobenzene 69.22
    4-methylpyridine 52.4
    dibutyl ether 16.26
    2,6-dimethyl-4-heptanol 12.11
    DEF 64.83
    dimethyl isosorbide 86.89
    tetrachloroethylene 141.75
    eugenol 45.18
    triacetin 40.71
    span 80 24.54
    1,4-butanediol 6.53
    1,1-dichloroethane 81.67
    2-methyl-1-pentanol 12.52
    methyl formate 40.19
    2-methyl-1-butanol 7.82
    n-decane 1.97
    butyronitrile 16.54
    3,7-dimethyl-1-octanol 9.89
    1-chlorooctane 8.92
    1-chlorotetradecane 4.34
    n-nonane 1.81
    undecane 1.51
    tert-butylcyclohexane 4.89
    cyclooctane 1.82
    cyclopentanol 10.15
    tetrahydropyran 31.55
    tert-amyl methyl ether 42.81
    2,5,8-trioxanonane 72.27
    1-hexene 11.1
    2-isopropoxyethanol 31.16
    2,2,2-trifluoroethanol 35.6
    methyl butyrate 48.02

    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