Terephthalaldehyde

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  • Identifiers

    CAS number
    623-27-8

    Molecular formula
    C8H6O2

    SMILES
    C1=CC(=CC=C1C=O)C=O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 79.57%
    Almond 77.37%
    Cherry 71.66%
    Bitter 65.71%
    Fruity 64.9%
    Spicy 60.95%
    Cinnamon 53.0%
    Nutty 52.33%
    Vanilla 46.71%
    Phenolic 43.64%

     

    Flavor
    Sweet 75.24%
    Almond 69.97%
    Cherry 68.75%
    Bitter 49.24%
    Cinnamon 46.01%
    Vanilla 42.48%
    Balsam 39.32%
    Hawthorn 38.9%
    Hawthorne 32.51%
    Woody 31.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.88 (weak acid)

    Molecular weight
    134.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 117 °C

    Boiling point

    • 246 °C

    Flash point

    • 117.5 ˚C est.
    • 76 °C (169 °F) - closed cup

    Solubility expt.

    • In water, 200 mg/L at 25 °C
    • Insoluble in water
    • Very soluble in ethanol; soluble in ethyl ether, chloroform, alkalies

  • Synonyms

    • TEREPHTHALALDEHYDE
    • 1,4-Benzenedicarboxaldehyde
    • Terephthaldehyde
    • Terephthaldicarboxaldehyde
    • 1,4-Phthalaldehyde
    • UNII-M2Y6E4N2TS
    • EINECS 210-784-8
    • M2Y6E4N2TS
    • P-DIFORMYLBENZENE
    • NSC-13395
    • DTXSID6060769
    • HSDB 8458
    • 1,4-TEREPHTHALDICARBALDEHYDE
    • 1,4-DICARBOXALDEHYDE-BENZENE
    • pPhthalaldehyde
    • pFormylbenzaldehyde
    • 4formylbenzaldehyde
    • 1,4Diformylbenzene
    • pBenzenedicarboxaldehyde
    • RefChem:187952
    • Terephthalaldehyde (8CI)
    • 1,4Benzenedicarboxaldehyde
    • DTXCID9043300
    • InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6
    • KUCOHFSKRZZVRO-UHFFFAOYSA-N
    • 623-27-8
    • p-Phthalaldehyde
    • Terephthalic aldehyde
    • Terephthaldialdehyde
    • Terephthaladehyde
    • 4-Formylbenzaldehyde
    • 1,4-Diformylbenzene
    • p-Formylbenzaldehyde
    • benzene-1,4-dicarbaldehyde
    • p-Benzenedicarboxaldehyde
    • Terephtaldehyde
    • Terephtaldehydes
    • 1,4-Benzenedialdehyde
    • p-Phthaldialdehyde
    • 1,4-Benzenedicarbaldehyde
    • Benzene-1,4-dicarboxaldehyde
    • p-Benzenedialdehyde
    • NSC 13395
    • MFCD00006949
    • Terephtaldehydes [French]
    • 27456-81-1
    • Terephtaldehydes [French]
    • terepthaldehyde
    • terephthalaldehyd
    • terephthal aldehyde
    • terephtaldicarboxaldehyde
    • WLN: VHR DVH
    • SCHEMBL31171
    • SCHEMBL104811
    • SCHEMBL369156
    • orb2939854
    • HY-Y0425
    • NSC13395
    • STR02396
    • SBB012343
    • STL483078
    • AKOS000120450
    • CS-W020006
    • EBC-618194
    • FT32794
    • UPCMLD0ENAT5955267:001
    • AC-10411
    • BP-12578
    • ST067119
    • Terephthalaldehyde, ReagentPlus(R), 99%
    • DB-054132
    • NS00022535
    • T0010
    • EN300-20527
    • Terephthalaldehyde, purum, >=98.0% (HPLC)
    • D70415
    • F169900
    • Terephthalaldehyde, Vetec(TM) reagent grade, 98%
    • Q27283404
    • F3202-0515
    • Z104478582
    • 623-27-8

  • Applications

    Terephthalaldehyde (CAS 623-27-8) is an aromatic dialdehyde used primarily as a chemical building block in the synthesis of high‑performance polymers and resins. In polymers and plastics, it serves as a di‑functional monomer for polyimide, polyester, and related resin systems, enabling crosslinking and enhanced thermal stability. In coatings and inks, it functions as a reactive component that participates in crosslinking with amino or hydroxyl groups to improve film hardness and solvent resistance. It is also employed as an intermediate for functionalized derivatives, including the formation of Schiff base ligands and metal‑chelating complexes for catalysis or materials science applications. Additionally, it can be used in adhesive formulations as a crosslinking/chain‑extending agent, and as a synthetic building block in industrial manufacturing workflows. Its use is highly dependent on formulation design and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.64
    methanol 43.27
    isopropanol 21.52
    water 1.64
    ethyl acetate 118.16
    n-propanol 38.7
    acetone 169.93
    n-butanol 31.8
    acetonitrile 160.28
    DMF 304.05
    toluene 28.98
    isobutanol 26.49
    1,4-dioxane 130.98
    methyl acetate 182.92
    THF 178.25
    2-butanone 141.54
    n-pentanol 27.51
    sec-butanol 28.78
    n-hexane 4.88
    ethylene glycol 21.74
    NMP 320.72
    cyclohexane 5.95
    DMSO 219.24
    n-butyl acetate 75.05
    n-octanol 23.56
    chloroform 291.46
    n-propyl acetate 82.66
    acetic acid 108.64
    dichloromethane 394.36
    cyclohexanone 161.41
    propylene glycol 18.18
    isopropyl acetate 64.35
    DMAc 245.64
    2-ethoxyethanol 77.36
    isopentanol 33.47
    n-heptane 6.7
    ethyl formate 98.87
    1,2-dichloroethane 253.49
    n-hexanol 30.27
    2-methoxyethanol 106.23
    isobutyl acetate 40.29
    tetrachloromethane 37.05
    n-pentyl acetate 46.87
    transcutol 236.84
    n-heptanol 21.75
    ethylbenzene 29.02
    MIBK 58.55
    2-propoxyethanol 68.6
    tert-butanol 35.38
    MTBE 40.05
    2-butoxyethanol 53.22
    propionic acid 101.57
    o-xylene 35.29
    formic acid 65.44
    diethyl ether 51.36
    m-xylene 26.57
    p-xylene 37.82
    chlorobenzene 81.5
    dimethyl carbonate 77.09
    n-octane 3.86
    formamide 200.71
    cyclopentanone 268.32
    2-pentanone 96.73
    anisole 86.56
    cyclopentyl methyl ether 71.8
    gamma-butyrolactone 348.41
    1-methoxy-2-propanol 68.32
    pyridine 174.33
    3-pentanone 91.8
    furfural 286.24
    n-dodecane 3.66
    diethylene glycol 63.32
    diisopropyl ether 18.94
    tert-amyl alcohol 38.93
    acetylacetone 146.71
    n-hexadecane 4.12
    acetophenone 105.43
    methyl propionate 122.31
    isopentyl acetate 65.23
    trichloroethylene 517.41
    n-nonanol 22.82
    cyclohexanol 33.44
    benzyl alcohol 58.0
    2-ethylhexanol 28.63
    isooctanol 20.94
    dipropyl ether 38.29
    1,2-dichlorobenzene 95.66
    ethyl lactate 46.99
    propylene carbonate 177.39
    n-methylformamide 194.87
    2-pentanol 24.62
    n-pentane 4.1
    1-propoxy-2-propanol 49.67
    1-methoxy-2-propyl acetate 83.2
    2-(2-methoxypropoxy) propanol 70.62
    mesitylene 19.65
    ε-caprolactone 152.38
    p-cymene 24.87
    epichlorohydrin 352.86
    1,1,1-trichloroethane 175.92
    2-aminoethanol 35.71
    morpholine-4-carbaldehyde 225.14
    sulfolane 355.85
    2,2,4-trimethylpentane 4.29
    2-methyltetrahydrofuran 133.09
    n-hexyl acetate 59.92
    isooctane 3.27
    2-(2-butoxyethoxy)ethanol 79.24
    sec-butyl acetate 50.54
    tert-butyl acetate 71.0
    decalin 7.62
    glycerin 39.27
    diglyme 179.18
    acrylic acid 112.28
    isopropyl myristate 28.58
    n-butyric acid 87.23
    acetyl acetate 92.51
    di(2-ethylhexyl) phthalate 27.96
    ethyl propionate 81.69
    nitromethane 371.62
    1,2-diethoxyethane 75.01
    benzonitrile 86.2
    trioctyl phosphate 20.74
    1-bromopropane 76.0
    gamma-valerolactone 264.57
    n-decanol 18.63
    triethyl phosphate 44.45
    4-methyl-2-pentanol 20.09
    propionitrile 101.42
    vinylene carbonate 164.1
    1,1,2-trichlorotrifluoroethane 205.21
    DMS 96.96
    cumene 23.75
    2-octanol 17.05
    2-hexanone 72.68
    octyl acetate 35.65
    limonene 31.91
    1,2-dimethoxyethane 145.89
    ethyl orthosilicate 37.18
    tributyl phosphate 27.36
    diacetone alcohol 86.17
    N,N-dimethylaniline 61.61
    acrylonitrile 177.82
    aniline 56.54
    1,3-propanediol 46.05
    bromobenzene 78.68
    dibromomethane 195.23
    1,1,2,2-tetrachloroethane 304.99
    2-methyl-cyclohexyl acetate 55.0
    tetrabutyl urea 41.06
    diisobutyl methanol 22.04
    2-phenylethanol 55.2
    styrene 36.85
    dioctyl adipate 46.39
    dimethyl sulfate 143.2
    ethyl butyrate 66.81
    methyl lactate 62.62
    butyl lactate 39.39
    diethyl carbonate 55.56
    propanediol butyl ether 42.67
    triethyl orthoformate 43.51
    p-tert-butyltoluene 22.21
    methyl 4-tert-butylbenzoate 78.03
    morpholine 135.9
    tert-butylamine 22.81
    n-dodecanol 15.09
    dimethoxymethane 109.74
    ethylene carbonate 117.45
    cyrene 88.54
    2-ethoxyethyl acetate 75.31
    2-ethylhexyl acetate 51.95
    1,2,4-trichlorobenzene 110.7
    4-methylpyridine 127.26
    dibutyl ether 32.23
    2,6-dimethyl-4-heptanol 22.04
    DEF 139.58
    dimethyl isosorbide 146.08
    tetrachloroethylene 196.84
    eugenol 73.38
    triacetin 83.41
    span 80 47.14
    1,4-butanediol 23.1
    1,1-dichloroethane 168.81
    2-methyl-1-pentanol 29.34
    methyl formate 165.5
    2-methyl-1-butanol 31.81
    n-decane 5.4
    butyronitrile 68.38
    3,7-dimethyl-1-octanol 26.2
    1-chlorooctane 22.38
    1-chlorotetradecane 10.47
    n-nonane 5.09
    undecane 4.44
    tert-butylcyclohexane 7.13
    cyclooctane 2.76
    cyclopentanol 48.12
    tetrahydropyran 82.31
    tert-amyl methyl ether 40.28
    2,5,8-trioxanonane 118.78
    1-hexene 19.12
    2-isopropoxyethanol 55.41
    2,2,2-trifluoroethanol 88.37
    methyl butyrate 108.71

    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