2,4-Dimethoxybenzaldehyde

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  • Identifiers

    CAS number
    613-45-6

    Molecular formula
    C9H10O3

    SMILES
    COC1=CC(=C(C=C1)C=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 89.72%
    Spicy 64.1%
    Vanilla 62.65%
    Anisic 56.98%
    Herbal 51.54%
    Floral 50.95%
    Phenolic 42.66%
    Powdery 42.46%
    Aromatic 41.75%
    Cherry 38.78%

     

    Flavor
    Sweet 56.4%
    Vanilla 42.57%
    Floral 40.03%
    Woody 39.73%
    Balsam 37.19%
    Powdery 35.82%
    Spicy 32.93%
    Bitter 31.32%
    Creamy 31.28%
    Fruity 30.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.27 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 108.71 ˚C est.

  • Synonyms

    • 2,4-Dimethoxybenzaldehyde
    • 613-45-6
    • Benzaldehyde, 2,4-dimethoxy-
    • MFCD00003311
    • EINECS 210-342-4
    • MM3U32AQ5F
    • NSC 27023
    • AI3-21269
    • NSC-27023
    • UNII-MM3U32AQ5F
    • 2,4-dimethoxy-benzaldehyde
    • MLS000723769
    • DTXSID3022081
    • DIMETHOXYBENZALDEHYDE, 2,4-
    • SMR000305364
    • 2-Hydroxy-4-methoxybenzaldehyde, methyl ether
    • NSC 27023;
    • 2,4-dimethoxybenzaldehyd
    • 2,4-bis(methyloxy)benzaldehyde
    • 2,4dimethoxybenzaldehyde
    • ArgoPore(TM)-MB-CHO
    • 2,4-dimethoxybenzaldehye
    • 2.4-dimethoxybenzaldehye
    • Opera_ID_1127
    • 4,6-dimethoxybenzaldehyde
    • 2,4 Dimethoxybenzaldehyde
    • 2,4 dimethoxylbenzaldehyde
    • 2,4-dimethox-ybenzaldehyde
    • 2,4-dimethoxy benzaldehyde
    • Benzaldehyde, 2,4dimethoxy
    • SCHEMBL96291
    • CHEMBL234216
    • DTXCID002081
    • 2,4-Dimethoxybenzaldehyde, 98%
    • CHEBI:228972
    • HMS2627K12
    • NSC27023
    • STR06383
    • BBL014083
    • STK199258
    • AKOS000118830
    • AC-8396
    • CS-W020102
    • FD06222
    • NCGC00245850-01
    • BP-12432
    • SY012897
    • DB-019963
    • D0626
    • NS00034651
    • EN300-18279
    • AB00590421-08
    • AK-087/40243220
    • Q4596778
    • Z57772445
    • F0913-0489
    • 210-342-4
    • StratoSpheres(TM) PL-FMP resin, 50-100 mesh, extent of labeling: 1.6 mmol/g loading, 1 % cross-linked

  • Applications

    2,4-Dimethoxybenzaldehyde (CAS 613-45-6) is primarily used as a fragrance intermediate and odorant, contributing anisole/vanillin-like notes in perfumery and related aroma applications; it also serves as an intermediate in organic synthesis for preparing other aromatic compounds used in cosmetics and personal care as well as household products such as air fresheners and cleaners. In industrial manufacturing it acts as a building block for further functionalized aromatic chemicals, supporting the development of specialty chemicals for polymers, coatings, and inks. The compound may be evaluated as a starting material for additional synthetic transformations in research and development, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.3
    methanol 115.61
    isopropanol 39.23
    water 1.0
    ethyl acetate 188.22
    n-propanol 42.85
    acetone 202.84
    n-butanol 32.64
    acetonitrile 265.78
    DMF 338.59
    toluene 70.31
    isobutanol 28.34
    1,4-dioxane 373.41
    methyl acetate 236.37
    THF 292.9
    2-butanone 132.88
    n-pentanol 28.12
    sec-butanol 29.86
    n-hexane 3.31
    ethylene glycol 76.05
    NMP 243.0
    cyclohexane 16.61
    DMSO 590.0
    n-butyl acetate 65.74
    n-octanol 18.67
    chloroform 457.97
    n-propyl acetate 82.55
    acetic acid 163.7
    dichloromethane 580.27
    cyclohexanone 177.08
    propylene glycol 40.14
    isopropyl acetate 62.13
    DMAc 281.55
    2-ethoxyethanol 122.22
    isopentanol 28.02
    n-heptane 5.62
    ethyl formate 171.18
    1,2-dichloroethane 340.66
    n-hexanol 32.26
    2-methoxyethanol 231.29
    isobutyl acetate 40.88
    tetrachloromethane 75.95
    n-pentyl acetate 29.65
    transcutol 203.92
    n-heptanol 16.57
    ethylbenzene 36.74
    MIBK 41.18
    2-propoxyethanol 102.37
    tert-butanol 68.91
    MTBE 47.31
    2-butoxyethanol 47.34
    propionic acid 95.7
    o-xylene 53.87
    formic acid 111.88
    diethyl ether 72.31
    m-xylene 40.16
    p-xylene 49.34
    chlorobenzene 122.24
    dimethyl carbonate 97.63
    n-octane 2.42
    formamide 236.86
    cyclopentanone 229.59
    2-pentanone 78.63
    anisole 104.69
    cyclopentyl methyl ether 92.4
    gamma-butyrolactone 347.47
    1-methoxy-2-propanol 106.33
    pyridine 280.44
    3-pentanone 78.3
    furfural 361.22
    n-dodecane 2.52
    diethylene glycol 142.5
    diisopropyl ether 15.69
    tert-amyl alcohol 41.9
    acetylacetone 147.32
    n-hexadecane 3.0
    acetophenone 98.95
    methyl propionate 156.89
    isopentyl acetate 51.27
    trichloroethylene 603.35
    n-nonanol 17.97
    cyclohexanol 54.49
    benzyl alcohol 82.46
    2-ethylhexanol 25.56
    isooctanol 15.21
    dipropyl ether 38.46
    1,2-dichlorobenzene 113.04
    ethyl lactate 48.61
    propylene carbonate 168.87
    n-methylformamide 237.82
    2-pentanol 18.67
    n-pentane 3.1
    1-propoxy-2-propanol 57.05
    1-methoxy-2-propyl acetate 81.71
    2-(2-methoxypropoxy) propanol 61.76
    mesitylene 26.48
    ε-caprolactone 152.19
    p-cymene 23.27
    epichlorohydrin 421.38
    1,1,1-trichloroethane 251.32
    2-aminoethanol 69.24
    morpholine-4-carbaldehyde 305.21
    sulfolane 342.0
    2,2,4-trimethylpentane 2.91
    2-methyltetrahydrofuran 158.93
    n-hexyl acetate 41.01
    isooctane 2.05
    2-(2-butoxyethoxy)ethanol 71.32
    sec-butyl acetate 41.35
    tert-butyl acetate 61.57
    decalin 9.01
    glycerin 94.89
    diglyme 177.16
    acrylic acid 119.98
    isopropyl myristate 20.49
    n-butyric acid 101.13
    acetyl acetate 138.01
    di(2-ethylhexyl) phthalate 26.32
    ethyl propionate 80.74
    nitromethane 484.72
    1,2-diethoxyethane 68.17
    benzonitrile 119.9
    trioctyl phosphate 17.19
    1-bromopropane 97.33
    gamma-valerolactone 289.61
    n-decanol 14.38
    triethyl phosphate 47.92
    4-methyl-2-pentanol 13.07
    propionitrile 131.89
    vinylene carbonate 196.87
    1,1,2-trichlorotrifluoroethane 297.5
    DMS 77.79
    cumene 24.74
    2-octanol 10.71
    2-hexanone 61.13
    octyl acetate 25.31
    limonene 32.12
    1,2-dimethoxyethane 244.9
    ethyl orthosilicate 38.54
    tributyl phosphate 23.99
    diacetone alcohol 76.84
    N,N-dimethylaniline 66.48
    acrylonitrile 215.84
    aniline 109.88
    1,3-propanediol 91.06
    bromobenzene 133.65
    dibromomethane 311.13
    1,1,2,2-tetrachloroethane 380.37
    2-methyl-cyclohexyl acetate 50.62
    tetrabutyl urea 34.35
    diisobutyl methanol 17.82
    2-phenylethanol 63.55
    styrene 51.71
    dioctyl adipate 38.69
    dimethyl sulfate 163.82
    ethyl butyrate 69.91
    methyl lactate 79.21
    butyl lactate 30.63
    diethyl carbonate 66.99
    propanediol butyl ether 40.22
    triethyl orthoformate 49.03
    p-tert-butyltoluene 21.59
    methyl 4-tert-butylbenzoate 63.73
    morpholine 318.31
    tert-butylamine 34.45
    n-dodecanol 12.07
    dimethoxymethane 194.37
    ethylene carbonate 155.36
    cyrene 88.03
    2-ethoxyethyl acetate 57.26
    2-ethylhexyl acetate 41.94
    1,2,4-trichlorobenzene 138.23
    4-methylpyridine 198.13
    dibutyl ether 25.66
    2,6-dimethyl-4-heptanol 17.82
    DEF 132.74
    dimethyl isosorbide 121.14
    tetrachloroethylene 257.53
    eugenol 64.76
    triacetin 64.74
    span 80 42.86
    1,4-butanediol 36.15
    1,1-dichloroethane 225.4
    2-methyl-1-pentanol 26.34
    methyl formate 250.77
    2-methyl-1-butanol 25.79
    n-decane 3.79
    butyronitrile 90.41
    3,7-dimethyl-1-octanol 21.26
    1-chlorooctane 17.27
    1-chlorotetradecane 8.45
    n-nonane 3.39
    undecane 3.01
    tert-butylcyclohexane 6.66
    cyclooctane 5.17
    cyclopentanol 63.92
    tetrahydropyran 172.07
    tert-amyl methyl ether 36.51
    2,5,8-trioxanonane 127.91
    1-hexene 13.73
    2-isopropoxyethanol 65.81
    2,2,2-trifluoroethanol 103.27
    methyl butyrate 106.65

    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