4-Chloro-3,5-dimethoxybenzaldehyde

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  • Identifiers

    CAS number
    56518-48-0

    Molecular formula
    C9H9ClO3

    SMILES
    COC1=CC(=CC(=C1Cl)OC)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 75.37%
    Vanilla 63.37%
    Floral 62.26%
    Spicy 46.79%
    Powdery 45.62%
    Woody 41.25%
    Phenolic 37.35%
    Fruity 37.33%
    Creamy 36.58%
    Green 36.03%

     

    Flavor
    Bitter 37.23%
    Sweet 36.05%
    Woody 33.1%
    Vanilla 28.33%
    Powdery 25.46%
    Spice 25.19%
    Spicy 24.65%
    Creamy 23.03%
    Smoky 21.92%
    Caramel 21.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.95 (weak acid)

    Molecular weight
    200.62 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Melting point expt.

    • 165 - 167 °C

    Flash point

    • 120.06 ˚C est.

  • Synonyms

    • 4-Chloro-3,5-dimethoxybenzaldehyde
    • 56518-48-0
    • RefChem:98410
    • Benzaldehyde, 4-chloro-3,5-dimethoxy-
    • SCHEMBL6938502
    • CHEBI:169519
    • DTXSID901297726
    • 56518-48-0

  • Applications

    4-Chloro-3,5-dimethoxybenzaldehyde (CAS 56518-48-0) is primarily used as an organic synthesis intermediate across several specialty industries. In perfumery and flavors, it serves as a building block for aroma compounds and fragrance derivatives. In pharmaceutical research, it is utilized as a synthetic intermediate for constructing heterocyclic motifs and other medicinal chemistry transformations. In agrochemical development, it provides a versatile benzaldehyde core for the synthesis of various agrochemical candidates. In coatings, inks and dye chemistry, it acts as a precursor for functionalized benzaldehyde derivatives and pigment or dye precursors. In polymer and materials science, it can serve as a reactive building block for specialty polymers and crosslinkable formulations under suitable conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.21
    methanol 93.89
    isopropanol 49.69
    water 1.02
    ethyl acetate 202.6
    n-propanol 55.46
    acetone 412.53
    n-butanol 42.79
    acetonitrile 308.03
    DMF 573.57
    toluene 83.34
    isobutanol 41.29
    1,4-dioxane 350.38
    methyl acetate 320.59
    THF 467.06
    2-butanone 235.36
    n-pentanol 42.8
    sec-butanol 42.72
    n-hexane 3.66
    ethylene glycol 92.26
    NMP 410.67
    cyclohexane 15.94
    DMSO 598.44
    n-butyl acetate 115.03
    n-octanol 38.09
    chloroform 528.28
    n-propyl acetate 141.21
    acetic acid 172.88
    dichloromethane 849.09
    cyclohexanone 295.57
    propylene glycol 39.23
    isopropyl acetate 90.71
    DMAc 401.36
    2-ethoxyethanol 155.96
    isopentanol 40.79
    n-heptane 10.39
    ethyl formate 283.06
    1,2-dichloroethane 455.39
    n-hexanol 50.9
    2-methoxyethanol 261.07
    isobutyl acetate 74.9
    tetrachloromethane 88.0
    n-pentyl acetate 72.87
    transcutol 141.28
    n-heptanol 34.27
    ethylbenzene 54.02
    MIBK 76.4
    2-propoxyethanol 140.44
    tert-butanol 78.79
    MTBE 67.75
    2-butoxyethanol 82.42
    propionic acid 110.44
    o-xylene 69.45
    formic acid 92.21
    diethyl ether 75.18
    m-xylene 60.19
    p-xylene 84.45
    chlorobenzene 168.83
    dimethyl carbonate 159.3
    n-octane 6.26
    formamide 224.15
    cyclopentanone 445.92
    2-pentanone 138.9
    anisole 152.56
    cyclopentyl methyl ether 135.03
    gamma-butyrolactone 581.06
    1-methoxy-2-propanol 125.41
    pyridine 308.08
    3-pentanone 123.85
    furfural 563.62
    n-dodecane 6.43
    diethylene glycol 164.51
    diisopropyl ether 22.55
    tert-amyl alcohol 56.88
    acetylacetone 249.75
    n-hexadecane 7.5
    acetophenone 173.74
    methyl propionate 190.1
    isopentyl acetate 89.04
    trichloroethylene 839.74
    n-nonanol 35.8
    cyclohexanol 71.9
    benzyl alcohol 123.38
    2-ethylhexanol 45.76
    isooctanol 32.01
    dipropyl ether 56.18
    1,2-dichlorobenzene 178.34
    ethyl lactate 79.99
    propylene carbonate 294.6
    n-methylformamide 304.14
    2-pentanol 28.47
    n-pentane 4.3
    1-propoxy-2-propanol 79.54
    1-methoxy-2-propyl acetate 121.18
    2-(2-methoxypropoxy) propanol 77.14
    mesitylene 37.92
    ε-caprolactone 239.13
    p-cymene 44.02
    epichlorohydrin 638.48
    1,1,1-trichloroethane 342.24
    2-aminoethanol 67.57
    morpholine-4-carbaldehyde 403.34
    sulfolane 573.15
    2,2,4-trimethylpentane 4.33
    2-methyltetrahydrofuran 234.26
    n-hexyl acetate 83.04
    isooctane 3.32
    2-(2-butoxyethoxy)ethanol 91.1
    sec-butyl acetate 67.47
    tert-butyl acetate 92.38
    decalin 11.04
    glycerin 82.68
    diglyme 223.54
    acrylic acid 131.33
    isopropyl myristate 40.93
    n-butyric acid 113.35
    acetyl acetate 160.87
    di(2-ethylhexyl) phthalate 47.77
    ethyl propionate 113.23
    nitromethane 629.54
    1,2-diethoxyethane 88.94
    benzonitrile 198.64
    trioctyl phosphate 37.53
    1-bromopropane 118.14
    gamma-valerolactone 487.92
    n-decanol 30.32
    triethyl phosphate 71.51
    4-methyl-2-pentanol 21.22
    propionitrile 149.42
    vinylene carbonate 312.22
    1,1,2-trichlorotrifluoroethane 380.36
    DMS 119.54
    cumene 38.96
    2-octanol 26.97
    2-hexanone 111.08
    octyl acetate 54.72
    limonene 56.6
    1,2-dimethoxyethane 327.88
    ethyl orthosilicate 55.88
    tributyl phosphate 42.64
    diacetone alcohol 113.31
    N,N-dimethylaniline 98.49
    acrylonitrile 267.78
    aniline 114.88
    1,3-propanediol 90.2
    bromobenzene 185.2
    dibromomethane 419.97
    1,1,2,2-tetrachloroethane 478.14
    2-methyl-cyclohexyl acetate 83.06
    tetrabutyl urea 62.19
    diisobutyl methanol 29.6
    2-phenylethanol 106.73
    styrene 70.75
    dioctyl adipate 68.44
    dimethyl sulfate 249.89
    ethyl butyrate 111.55
    methyl lactate 101.96
    butyl lactate 55.87
    diethyl carbonate 99.92
    propanediol butyl ether 60.6
    triethyl orthoformate 71.75
    p-tert-butyltoluene 41.45
    methyl 4-tert-butylbenzoate 110.28
    morpholine 290.03
    tert-butylamine 40.56
    n-dodecanol 25.78
    dimethoxymethane 289.71
    ethylene carbonate 235.15
    cyrene 137.92
    2-ethoxyethyl acetate 111.37
    2-ethylhexyl acetate 71.46
    1,2,4-trichlorobenzene 207.13
    4-methylpyridine 262.83
    dibutyl ether 42.51
    2,6-dimethyl-4-heptanol 29.6
    DEF 208.67
    dimethyl isosorbide 173.83
    tetrachloroethylene 341.78
    eugenol 105.89
    triacetin 107.37
    span 80 63.78
    1,4-butanediol 50.53
    1,1-dichloroethane 296.72
    2-methyl-1-pentanol 40.07
    methyl formate 410.64
    2-methyl-1-butanol 37.74
    n-decane 8.98
    butyronitrile 124.2
    3,7-dimethyl-1-octanol 38.61
    1-chlorooctane 35.43
    1-chlorotetradecane 18.37
    n-nonane 8.35
    undecane 7.47
    tert-butylcyclohexane 8.91
    cyclooctane 5.95
    cyclopentanol 105.6
    tetrahydropyran 182.41
    tert-amyl methyl ether 53.65
    2,5,8-trioxanonane 149.53
    1-hexene 18.63
    2-isopropoxyethanol 96.11
    2,2,2-trifluoroethanol 125.9
    methyl butyrate 177.51

    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