3,5-Dimethoxybenzaldehyde

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  • Identifiers

    CAS number
    7311-34-4

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 85.77%
    Floral 68.11%
    Vanilla 59.76%
    Fruity 51.52%
    Powdery 49.86%
    Spicy 49.45%
    Anisic 45.92%
    Woody 39.72%
    Cherry 38.41%
    Balsamic 36.75%

     

    Flavor
    Woody 35.07%
    Fruity 33.41%
    Sweet 31.52%
    Bitter 27.51%
    Spice 26.59%
    Vanilla 26.43%
    Creamy 24.88%
    Floral 24.76%
    Balsam 24.54%
    Caramel 24.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.24 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 113.56 ˚C est.

  • Synonyms

    • 3,5-Dimethoxybenzaldehyde
    • 7311-34-4
    • Benzaldehyde, 3,5-dimethoxy-
    • P82W3UJ5DT
    • EINECS 230-772-6
    • NSC 62667
    • NSC-62667
    • UNII-P82W3UJ5DT
    • Benzaldehyde, 3,5-dimiethoxy
    • DTXSID50223388
    • RefChem:91565
    • DTXCID50145879
    • 230-772-6
    • InChI=1/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H
    • VFZRZRDOXPRTSC-UHFFFAOYSA-N
    • 3,5-dimethoxy-benzaldehyde
    • MFCD00003366
    • 3,5-dimethoxy benzaldehyde
    • NSC62667
    • 3,5 dimethoxybenzaldehyde
    • 3,5 dimethoxylbenzaldehyde
    • 3,5 dimethoxy benzaldehyde
    • ghl.PD_Mitscher_leg0.694
    • SCHEMBL228003
    • SCHEMBL269674
    • CHEMBL234037
    • orb2940060
    • SCHEMBL4932929
    • SCHEMBL18063549
    • BENZALDEHYDE,5-DIMIETHOXY
    • 3,5-Dimethoxybenzaldehyde, 98%
    • CHEBI:173755
    • BB_SC-02800
    • STR05637
    • BBL009939
    • CL8299
    • SBB063173
    • STK801354
    • AKOS000120595
    • AB00320
    • AC-2498
    • CS-W007626
    • FD50738
    • HY-W007626
    • SY001676
    • DB-006305
    • A9459
    • D1164
    • NS00037474
    • ST45021894
    • EN300-21022
    • 311D344
    • F044579
    • F0001-1851
    • Z104486276
    • 7311-34-4

  • Applications

    3,5-Dimethoxybenzaldehyde (CAS 7311-34-4) is used primarily as an odorant and fragrance intermediate in the aroma and flavor industries, providing a versatile building block for synthesizing various aroma compounds and related intermediates; it is commonly evaluated for integration into cosmetic and personal care formulations as a fragrance ingredient to shape and refine scent profiles; it can also be employed in household and cleaning products as a fragrance additive; in industrial manufacturing it serves as a chemical intermediate for the preparation of specialty aromatic compounds and related materials; in pharmaceutical research it is explored as a synthetic building block for more complex organic structures. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.53
    methanol 80.89
    isopropanol 38.88
    water 3.4
    ethyl acetate 104.7
    n-propanol 44.43
    acetone 157.17
    n-butanol 29.32
    acetonitrile 181.13
    DMF 299.18
    toluene 43.03
    isobutanol 32.11
    1,4-dioxane 210.85
    methyl acetate 191.17
    THF 207.9
    2-butanone 110.62
    n-pentanol 23.45
    sec-butanol 30.09
    n-hexane 2.02
    ethylene glycol 93.82
    NMP 234.71
    cyclohexane 9.23
    DMSO 425.02
    n-butyl acetate 40.76
    n-octanol 22.75
    chloroform 333.89
    n-propyl acetate 56.68
    acetic acid 113.47
    dichloromethane 492.67
    cyclohexanone 142.77
    propylene glycol 49.97
    isopropyl acetate 40.93
    DMAc 298.11
    2-ethoxyethanol 88.17
    isopentanol 24.81
    n-heptane 5.44
    ethyl formate 146.8
    1,2-dichloroethane 227.87
    n-hexanol 29.68
    2-methoxyethanol 178.47
    isobutyl acetate 33.69
    tetrachloromethane 53.79
    n-pentyl acetate 25.23
    transcutol 103.01
    n-heptanol 19.68
    ethylbenzene 29.19
    MIBK 32.17
    2-propoxyethanol 80.54
    tert-butanol 62.15
    MTBE 36.31
    2-butoxyethanol 45.16
    propionic acid 99.45
    o-xylene 43.1
    formic acid 73.37
    diethyl ether 32.86
    m-xylene 32.48
    p-xylene 42.59
    chlorobenzene 89.66
    dimethyl carbonate 83.14
    n-octane 3.2
    formamide 149.23
    cyclopentanone 204.54
    2-pentanone 52.66
    anisole 84.96
    cyclopentyl methyl ether 62.89
    gamma-butyrolactone 306.44
    1-methoxy-2-propanol 91.38
    pyridine 182.28
    3-pentanone 58.27
    furfural 315.81
    n-dodecane 3.8
    diethylene glycol 111.1
    diisopropyl ether 10.64
    tert-amyl alcohol 43.14
    acetylacetone 107.21
    n-hexadecane 4.38
    acetophenone 92.94
    methyl propionate 117.49
    isopentyl acetate 35.64
    trichloroethylene 401.55
    n-nonanol 22.09
    cyclohexanol 46.19
    benzyl alcohol 76.69
    2-ethylhexanol 24.95
    isooctanol 17.72
    dipropyl ether 27.32
    1,2-dichlorobenzene 97.1
    ethyl lactate 49.51
    propylene carbonate 163.88
    n-methylformamide 188.23
    2-pentanol 16.52
    n-pentane 2.14
    1-propoxy-2-propanol 46.42
    1-methoxy-2-propyl acetate 60.98
    2-(2-methoxypropoxy) propanol 55.21
    mesitylene 20.84
    ε-caprolactone 127.14
    p-cymene 23.66
    epichlorohydrin 320.35
    1,1,1-trichloroethane 182.0
    2-aminoethanol 73.93
    morpholine-4-carbaldehyde 265.85
    sulfolane 303.19
    2,2,4-trimethylpentane 2.6
    2-methyltetrahydrofuran 113.43
    n-hexyl acetate 37.51
    isooctane 1.67
    2-(2-butoxyethoxy)ethanol 59.61
    sec-butyl acetate 31.96
    tert-butyl acetate 43.69
    decalin 7.03
    glycerin 98.1
    diglyme 134.3
    acrylic acid 115.04
    isopropyl myristate 22.07
    n-butyric acid 75.59
    acetyl acetate 84.35
    di(2-ethylhexyl) phthalate 28.54
    ethyl propionate 57.82
    nitromethane 319.26
    1,2-diethoxyethane 39.76
    benzonitrile 100.24
    trioctyl phosphate 20.13
    1-bromopropane 64.08
    gamma-valerolactone 246.96
    n-decanol 18.73
    triethyl phosphate 43.57
    4-methyl-2-pentanol 12.9
    propionitrile 103.47
    vinylene carbonate 188.17
    1,1,2-trichlorotrifluoroethane 244.53
    DMS 68.27
    cumene 23.72
    2-octanol 14.2
    2-hexanone 44.95
    octyl acetate 27.87
    limonene 29.23
    1,2-dimethoxyethane 169.12
    ethyl orthosilicate 33.76
    tributyl phosphate 24.4
    diacetone alcohol 65.8
    N,N-dimethylaniline 60.5
    acrylonitrile 179.32
    aniline 76.0
    1,3-propanediol 77.49
    bromobenzene 96.95
    dibromomethane 228.23
    1,1,2,2-tetrachloroethane 266.96
    2-methyl-cyclohexyl acetate 46.11
    tetrabutyl urea 34.87
    diisobutyl methanol 17.18
    2-phenylethanol 59.63
    styrene 36.62
    dioctyl adipate 39.93
    dimethyl sulfate 158.12
    ethyl butyrate 49.94
    methyl lactate 84.16
    butyl lactate 28.24
    diethyl carbonate 53.25
    propanediol butyl ether 37.41
    triethyl orthoformate 36.36
    p-tert-butyltoluene 22.0
    methyl 4-tert-butylbenzoate 67.92
    morpholine 184.91
    tert-butylamine 29.54
    n-dodecanol 16.16
    dimethoxymethane 141.06
    ethylene carbonate 138.13
    cyrene 88.21
    2-ethoxyethyl acetate 46.03
    2-ethylhexyl acetate 28.82
    1,2,4-trichlorobenzene 119.85
    4-methylpyridine 142.81
    dibutyl ether 21.94
    2,6-dimethyl-4-heptanol 17.18
    DEF 108.75
    dimethyl isosorbide 109.1
    tetrachloroethylene 175.1
    eugenol 64.05
    triacetin 63.02
    span 80 42.33
    1,4-butanediol 34.65
    1,1-dichloroethane 161.33
    2-methyl-1-pentanol 21.73
    methyl formate 211.14
    2-methyl-1-butanol 25.57
    n-decane 5.26
    butyronitrile 70.06
    3,7-dimethyl-1-octanol 24.09
    1-chlorooctane 20.21
    1-chlorotetradecane 10.43
    n-nonane 4.75
    undecane 4.35
    tert-butylcyclohexane 5.86
    cyclooctane 3.26
    cyclopentanol 65.01
    tetrahydropyran 95.67
    tert-amyl methyl ether 29.81
    2,5,8-trioxanonane 104.81
    1-hexene 9.33
    2-isopropoxyethanol 53.94
    2,2,2-trifluoroethanol 92.17
    methyl butyrate 82.78

    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