Methyl 4-Formylbenzoate

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  • Identifiers

    CAS number
    1571-08-0

    Molecular formula
    C9H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 67.39%
    Fruity 62.94%
    Cherry 59.0%
    Almond 52.58%
    Floral 52.0%
    Bitter 46.84%
    Vanilla 43.5%
    Phenolic 42.24%
    Anisic 41.12%
    Spicy 39.52%

     

    Flavor
    Sweet 69.41%
    Almond 52.49%
    Balsam 52.03%
    Cherry 50.08%
    Powdery 40.53%
    Vanilla 40.43%
    Hawthorn 39.73%
    Wintergreen 35.98%
    Cinnamon 34.53%
    Balsamic 34.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.71 (weak acid)

    Molecular weight
    164.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 140 to 144 °F (NTP, 1992)

    Boiling point

    • 509 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 120.66 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)

  • Synonyms

    • METHYL 4-FORMYLBENZOATE
    • 1571-08-0
    • Methyl p-formylbenzoate
    • 4-Carbomethoxybenzaldehyde
    • Benzoic acid, 4-formyl-, methyl ester
    • Methyl terephthalaldehydate
    • 4-(Methoxycarbonyl)benzaldehyde
    • p-Carbomethoxybenzaldehyde
    • 4-Formylbenzoic Acid Methyl Ester
    • Methyl-p-formyl benzoate
    • Methyl terephthaldehydate
    • Methyl benzaldehyde-4-carboxylate
    • p-Formylbenzoic acid methyl ester
    • Terephthalaldehydic acid, methyl ester
    • 4-Carboxybenzaldehyde methyl ester
    • 2-Methoxycarbonylbenzaldehyde
    • NSC 28459
    • CCRIS 6063
    • HSDB 5842
    • EINECS 216-385-5
    • p-(Methoxycarbonyl)benzaldehyde
    • DTXSID4025610
    • NH766742VV
    • NSC-28459
    • DTXCID005610
    • METHYL 4-FORMYLBENZOATE [HSDB]
    • Methyl pformylbenzoate
    • pCarbomethoxybenzaldehyde
    • 4Carbomethoxybenzaldehyde
    • RefChem:816443
    • 4(Methoxycarbonyl)benzaldehyde
    • METHYL-P-FORMYLBENZOATE
    • Methyl benzaldehyde4carboxylate
    • pFormylbenzoic acid methyl ester
    • 4Carboxybenzaldehyde methyl ester
    • Benzoic acid, 4formyl, methyl ester
    • PARA(METHOXYCARBONYL)BENZALDEHYDE
    • 4-FORMYL BENZOIC ACID, METHYL ESTER
    • 216-385-5
    • InChI=1/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H
    • MFCD00006950
    • methyl4-formylbenzoate
    • p-Methoxycarbonylbenzaldehyde
    • methyl-4-formylbenzoate
    • Terephthalaldehydic Acid Methyl Ester
    • Methyl 4-FormYl-Benzoate
    • 4-formyl-benzoic acid methyl ester
    • CAS-1571-08-0
    • UNII-NH766742VV
    • methyl p formylbenzoate
    • Methyl 4-formylbezoate
    • methyl 4 formylbenzoate
    • p-carbomethoxybenzaldehye
    • 4-Carbmethoxybenzaldehyde
    • methyl-4-formyl-benzoate
    • 4-carbomethoxy benzaldehyde
    • 4-methoxycarbonylbenzaldehyde
    • SCHEMBL79533
    • SCHEMBL99157
    • 4-formyl benzoic acid methyl
    • MLS002415742
    • Methyl 4-formylbenzoate, 99%
    • orb2939852
    • 4-formylbenzoic acid methylester
    • CHEMBL1607943
    • methyl 4-formylbenzenecarboxylate
    • METHYL PARA-FORMYLBENZOATE
    • 4-HC(O)-C6H4-COOCH3
    • 4-formylbenzoic acid, methyl ester
    • ALBB-026582
    • BB_SC-06472
    • NSC28459
    • STR02252
    • Tox21_202369
    • Tox21_303302
    • AB9721
    • BBL011959
    • SBB008362
    • STK199271
    • AKOS000268627
    • AS-5672
    • CS-W009013
    • EBC-618087
    • FM29140
    • NCGC00091198-01
    • NCGC00091198-02
    • NCGC00091198-03
    • NCGC00091198-04
    • NCGC00257074-01
    • NCGC00259918-01
    • AC-23115
    • AC-24989
    • BP-12332
    • HY-78000
    • SMR001252203
    • SY003456
    • DB-012901
    • NS00021702
    • ST50208676
    • T0012
    • EN300-15457
    • 71M080
    • F037428
    • Q27284866
    • Z18297598
    • 1571-08-0

  • Applications

    Methyl 4-Formylbenzoate (CAS 1571-08-0) is primarily used as an organic synthesis intermediate, enabling introduction of a formyl group on the para-benzoate ring for the preparation of target molecules in pharmaceutical and agrochemical development. It is also employed in fragrance and flavor chemistry as a fragrance ingredient or precursor to aroma compounds, providing aldehydic functionality to form aroma profiles. In cosmetics and personal care, it may serve as an intermediate for fragrance systems. In coatings, inks, and adhesives, the aldehyde functionality can participate in crosslinking reactions with amines, enabling reactive formulations and durable finishes. In polymer chemistry, it can function as a functional building block for specialty polymers or for post-polymerization modification of polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.45
    methanol 31.96
    isopropanol 15.73
    water 0.65
    ethyl acetate 68.15
    n-propanol 17.14
    acetone 86.03
    n-butanol 17.67
    acetonitrile 61.96
    DMF 165.33
    toluene 29.91
    isobutanol 13.48
    1,4-dioxane 156.26
    methyl acetate 85.26
    THF 117.15
    2-butanone 66.1
    n-pentanol 20.81
    sec-butanol 17.88
    n-hexane 2.87
    ethylene glycol 15.82
    NMP 121.89
    cyclohexane 2.59
    DMSO 115.18
    n-butyl acetate 53.14
    n-octanol 14.46
    chloroform 218.0
    n-propyl acetate 64.0
    acetic acid 93.13
    dichloromethane 177.34
    cyclohexanone 80.75
    propylene glycol 9.87
    isopropyl acetate 53.89
    DMAc 156.63
    2-ethoxyethanol 88.87
    isopentanol 26.19
    n-heptane 2.24
    ethyl formate 46.07
    1,2-dichloroethane 134.38
    n-hexanol 27.64
    2-methoxyethanol 99.45
    isobutyl acetate 42.35
    tetrachloromethane 23.85
    n-pentyl acetate 34.02
    transcutol 241.99
    n-heptanol 18.53
    ethylbenzene 31.81
    MIBK 54.34
    2-propoxyethanol 75.63
    tert-butanol 54.41
    MTBE 58.08
    2-butoxyethanol 50.68
    propionic acid 45.86
    o-xylene 33.57
    formic acid 62.18
    diethyl ether 53.65
    m-xylene 28.95
    p-xylene 37.54
    chlorobenzene 55.8
    dimethyl carbonate 62.17
    n-octane 1.61
    formamide 144.62
    cyclopentanone 107.18
    2-pentanone 55.42
    anisole 97.19
    cyclopentyl methyl ether 51.34
    gamma-butyrolactone 143.88
    1-methoxy-2-propanol 63.68
    pyridine 96.58
    3-pentanone 53.72
    furfural 180.62
    n-dodecane 1.6
    diethylene glycol 78.8
    diisopropyl ether 20.21
    tert-amyl alcohol 51.01
    acetylacetone 107.57
    n-hexadecane 1.88
    acetophenone 89.97
    methyl propionate 61.89
    isopentyl acetate 53.45
    trichloroethylene 316.31
    n-nonanol 15.2
    cyclohexanol 22.31
    benzyl alcohol 59.14
    2-ethylhexanol 22.73
    isooctanol 17.69
    dipropyl ether 27.29
    1,2-dichlorobenzene 71.37
    ethyl lactate 42.22
    propylene carbonate 82.69
    n-methylformamide 83.82
    2-pentanol 16.83
    n-pentane 1.7
    1-propoxy-2-propanol 48.78
    1-methoxy-2-propyl acetate 71.19
    2-(2-methoxypropoxy) propanol 73.96
    mesitylene 21.62
    ε-caprolactone 74.55
    p-cymene 18.6
    epichlorohydrin 204.04
    1,1,1-trichloroethane 112.84
    2-aminoethanol 23.26
    morpholine-4-carbaldehyde 185.29
    sulfolane 176.17
    2,2,4-trimethylpentane 3.36
    2-methyltetrahydrofuran 73.94
    n-hexyl acetate 42.84
    isooctane 2.53
    2-(2-butoxyethoxy)ethanol 80.48
    sec-butyl acetate 51.08
    tert-butyl acetate 85.55
    decalin 5.09
    glycerin 34.76
    diglyme 170.11
    acrylic acid 62.14
    isopropyl myristate 22.2
    n-butyric acid 48.81
    acetyl acetate 64.83
    di(2-ethylhexyl) phthalate 24.36
    ethyl propionate 58.97
    nitromethane 241.28
    1,2-diethoxyethane 74.98
    benzonitrile 62.56
    trioctyl phosphate 16.7
    1-bromopropane 39.66
    gamma-valerolactone 169.08
    n-decanol 12.27
    triethyl phosphate 37.33
    4-methyl-2-pentanol 19.66
    propionitrile 42.85
    vinylene carbonate 94.81
    1,1,2-trichlorotrifluoroethane 159.48
    DMS 70.4
    cumene 24.63
    2-octanol 13.32
    2-hexanone 61.08
    octyl acetate 25.08
    limonene 21.76
    1,2-dimethoxyethane 163.43
    ethyl orthosilicate 33.41
    tributyl phosphate 22.64
    diacetone alcohol 92.31
    N,N-dimethylaniline 63.58
    acrylonitrile 82.85
    aniline 48.65
    1,3-propanediol 34.81
    bromobenzene 51.9
    dibromomethane 91.4
    1,1,2,2-tetrachloroethane 209.59
    2-methyl-cyclohexyl acetate 47.54
    tetrabutyl urea 30.84
    diisobutyl methanol 18.96
    2-phenylethanol 54.16
    styrene 40.18
    dioctyl adipate 35.96
    dimethyl sulfate 108.58
    ethyl butyrate 46.07
    methyl lactate 48.72
    butyl lactate 30.73
    diethyl carbonate 40.55
    propanediol butyl ether 39.19
    triethyl orthoformate 38.19
    p-tert-butyltoluene 19.35
    methyl 4-tert-butylbenzoate 67.15
    morpholine 119.76
    tert-butylamine 30.79
    n-dodecanol 10.06
    dimethoxymethane 105.59
    ethylene carbonate 65.85
    cyrene 78.61
    2-ethoxyethyl acetate 62.83
    2-ethylhexyl acetate 41.85
    1,2,4-trichlorobenzene 86.37
    4-methylpyridine 80.04
    dibutyl ether 24.33
    2,6-dimethyl-4-heptanol 18.96
    DEF 82.35
    dimethyl isosorbide 120.54
    tetrachloroethylene 148.0
    eugenol 68.07
    triacetin 64.24
    span 80 44.57
    1,4-butanediol 18.55
    1,1-dichloroethane 94.06
    2-methyl-1-pentanol 29.6
    methyl formate 78.87
    2-methyl-1-butanol 20.55
    n-decane 2.37
    butyronitrile 32.23
    3,7-dimethyl-1-octanol 18.78
    1-chlorooctane 11.56
    1-chlorotetradecane 6.12
    n-nonane 2.04
    undecane 1.88
    tert-butylcyclohexane 5.67
    cyclooctane 1.58
    cyclopentanol 21.01
    tetrahydropyran 62.11
    tert-amyl methyl ether 53.84
    2,5,8-trioxanonane 121.95
    1-hexene 13.71
    2-isopropoxyethanol 66.81
    2,2,2-trifluoroethanol 70.06
    methyl butyrate 72.21

    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