2,3-Dimethoxybenzaldehyde

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  • Identifiers

    CAS number
    86-51-1

    Molecular formula
    C9H10O3

    SMILES
    COC1=CC=CC(=C1OC)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 88.38%
    Vanilla 72.55%
    Spicy 64.58%
    Floral 47.97%
    Anisic 47.78%
    Woody 46.64%
    Powdery 45.18%
    Herbal 45.0%
    Phenolic 44.59%
    Creamy 39.73%

     

    Flavor
    Sweet 71.77%
    Woody 64.96%
    Vanilla 56.04%
    Creamy 43.79%
    Powdery 42.22%
    Spice 42.09%
    Caramel 41.32%
    Floral 37.8%
    Spicy 36.88%
    Smoky 33.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.36 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 103.8 ˚C est.

  • Synonyms

    • 2,3-Dimethoxybenzaldehyde
    • 86-51-1
    • o-Veratraldehyde
    • Benzaldehyde, 2,3-dimethoxy-
    • MFCD00003309
    • EINECS 201-677-7
    • 8ALP3SY00L
    • NSC 403661
    • AI3-00141
    • NSC-6314
    • NSC-51953
    • 5,6-Dimethoxybenzaldehyde
    • VERATRALDEHYDE, O-
    • UNII-8ALP3SY00L
    • NSC-403661
    • 2,3-Dimethoxybenzaldehyde-d6
    • DTXSID80235333
    • Benzaldehyde,3-dimethoxy-
    • 2-Hydroxy-3-methoxybenzaldehyde, methyl ether
    • o-Veratraldehyde; 5,6-Dimethoxybenzaldehyde;
    • 2,3-Dimethoxy-benzaldehyde
    • oVeratraldehyde
    • dimethoxybenzaldehyde
    • oVeratraldehyde (8CI)
    • UPCMLD00WStructure66
    • o-Veratraldehyde (8CI)
    • Spectrum2_001964
    • 2,3 dimethoxybenzaldehyde
    • 2,3-Dimethoxy-benzaldehyd
    • 2, 3 dimethoxybenzaldehyde
    • Benzaldehyde, 2,3dimethoxy
    • BIDD:ER0646
    • SCHEMBL319070
    • SPBio_002087
    • CHEMBL3039102
    • DTXCID80157824
    • NSC6314
    • 2,3-Dimethoxybenzaldehyde, 98%
    • CHEBI:228697
    • BCP10425
    • Benzaldehyde, 2,3dimethoxy (9CI)
    • CS-M3620
    • NSC51953
    • BBL008737
    • CCG-39482
    • NSC403661
    • s4778
    • STK498192
    • Benzaldehyde, 2,3-dimethoxy-(9CI)
    • AKOS000118970
    • AC-24169
    • AS-11994
    • BP-11464
    • HY-41407
    • SY003539
    • DB-056932
    • D0625
    • NS00039131
    • EN300-19139
    • Q27270112
    • F2190-0611
    • Z104472922
    • 201-677-7

  • Applications

    2,3-Dimethoxybenzaldehyde (CAS 86-51-1) is commonly used as a chemical building block in organic synthesis and serves as an intermediate in the production of fragrance and flavor compounds. It is also employed as a synthetic precursor in pharmaceutical and agrochemical development. In industrial contexts, it is used as a building block for polymers and coatings/inks, providing a route to specialty monomers and resins. Additionally, it can serve as a starting point for the preparation of other aromatic compounds for research and development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.79
    methanol 251.45
    isopropanol 106.83
    water 3.38
    ethyl acetate 738.7
    n-propanol 136.55
    acetone 1058.42
    n-butanol 102.53
    acetonitrile 1082.77
    DMF 934.03
    toluene 146.6
    isobutanol 80.77
    1,4-dioxane 1208.46
    methyl acetate 844.89
    THF 1239.37
    2-butanone 561.7
    n-pentanol 89.87
    sec-butanol 88.43
    n-hexane 22.27
    ethylene glycol 207.23
    NMP 640.31
    cyclohexane 63.77
    DMSO 1397.58
    n-butyl acetate 309.55
    n-octanol 70.38
    chloroform 1320.15
    n-propyl acetate 418.24
    acetic acid 556.45
    dichloromethane 2002.91
    cyclohexanone 726.42
    propylene glycol 76.14
    isopropyl acetate 308.18
    DMAc 480.33
    2-ethoxyethanol 403.62
    isopentanol 89.53
    n-heptane 27.1
    ethyl formate 567.5
    1,2-dichloroethane 1474.16
    n-hexanol 104.84
    2-methoxyethanol 677.55
    isobutyl acetate 187.72
    tetrachloromethane 276.58
    n-pentyl acetate 161.24
    transcutol 462.56
    n-heptanol 61.54
    ethylbenzene 109.93
    MIBK 211.01
    2-propoxyethanol 304.14
    tert-butanol 171.84
    MTBE 206.63
    2-butoxyethanol 155.36
    propionic acid 320.28
    o-xylene 117.13
    formic acid 286.51
    diethyl ether 389.82
    m-xylene 121.08
    p-xylene 148.75
    chlorobenzene 379.61
    dimethyl carbonate 413.43
    n-octane 14.61
    formamide 660.18
    cyclopentanone 1128.79
    2-pentanone 425.82
    anisole 297.63
    cyclopentyl methyl ether 420.97
    gamma-butyrolactone 1717.44
    1-methoxy-2-propanol 314.45
    pyridine 680.17
    3-pentanone 383.15
    furfural 1084.25
    n-dodecane 13.04
    diethylene glycol 371.17
    diisopropyl ether 99.72
    tert-amyl alcohol 121.77
    acetylacetone 697.57
    n-hexadecane 15.63
    acetophenone 301.35
    methyl propionate 597.78
    isopentyl acetate 219.61
    trichloroethylene 2219.22
    n-nonanol 63.06
    cyclohexanol 153.02
    benzyl alcohol 188.04
    2-ethylhexanol 85.13
    isooctanol 54.29
    dipropyl ether 155.7
    1,2-dichlorobenzene 378.57
    ethyl lactate 166.45
    propylene carbonate 700.12
    n-methylformamide 736.98
    2-pentanol 75.63
    n-pentane 19.43
    1-propoxy-2-propanol 179.46
    1-methoxy-2-propyl acetate 282.59
    2-(2-methoxypropoxy) propanol 139.17
    mesitylene 96.53
    ε-caprolactone 610.43
    p-cymene 74.95
    epichlorohydrin 1858.3
    1,1,1-trichloroethane 1008.16
    2-aminoethanol 151.11
    morpholine-4-carbaldehyde 776.64
    sulfolane 1612.78
    2,2,4-trimethylpentane 15.57
    2-methyltetrahydrofuran 643.81
    n-hexyl acetate 201.67
    isooctane 13.19
    2-(2-butoxyethoxy)ethanol 181.75
    sec-butyl acetate 203.4
    tert-butyl acetate 297.37
    decalin 36.58
    glycerin 189.88
    diglyme 506.67
    acrylic acid 383.07
    isopropyl myristate 85.14
    n-butyric acid 332.21
    acetyl acetate 510.6
    di(2-ethylhexyl) phthalate 71.65
    ethyl propionate 357.91
    nitromethane 2021.74
    1,2-diethoxyethane 244.3
    benzonitrile 346.16
    trioctyl phosphate 63.37
    1-bromopropane 355.89
    gamma-valerolactone 1161.07
    n-decanol 50.84
    triethyl phosphate 137.73
    4-methyl-2-pentanol 53.31
    propionitrile 473.03
    vinylene carbonate 671.15
    1,1,2-trichlorotrifluoroethane 789.56
    DMS 322.44
    cumene 77.74
    2-octanol 49.49
    2-hexanone 284.91
    octyl acetate 106.42
    limonene 102.08
    1,2-dimethoxyethane 744.65
    ethyl orthosilicate 116.28
    tributyl phosphate 80.43
    diacetone alcohol 260.45
    N,N-dimethylaniline 163.23
    acrylonitrile 767.14
    aniline 199.78
    1,3-propanediol 225.95
    bromobenzene 422.18
    dibromomethane 1081.87
    1,1,2,2-tetrachloroethane 1281.94
    2-methyl-cyclohexyl acetate 159.44
    tetrabutyl urea 105.65
    diisobutyl methanol 59.11
    2-phenylethanol 167.47
    styrene 153.41
    dioctyl adipate 130.52
    dimethyl sulfate 642.21
    ethyl butyrate 238.45
    methyl lactate 216.62
    butyl lactate 105.92
    diethyl carbonate 195.44
    propanediol butyl ether 107.85
    triethyl orthoformate 153.26
    p-tert-butyltoluene 72.91
    methyl 4-tert-butylbenzoate 179.15
    morpholine 984.96
    tert-butylamine 90.94
    n-dodecanol 42.02
    dimethoxymethane 765.56
    ethylene carbonate 584.69
    cyrene 210.79
    2-ethoxyethyl acetate 253.8
    2-ethylhexyl acetate 182.69
    1,2,4-trichlorobenzene 418.46
    4-methylpyridine 451.07
    dibutyl ether 109.6
    2,6-dimethyl-4-heptanol 59.11
    DEF 451.82
    dimethyl isosorbide 338.91
    tetrachloroethylene 948.83
    eugenol 166.23
    triacetin 230.11
    span 80 102.03
    1,4-butanediol 108.61
    1,1-dichloroethane 852.39
    2-methyl-1-pentanol 76.11
    methyl formate 890.65
    2-methyl-1-butanol 77.62
    n-decane 19.95
    butyronitrile 367.42
    3,7-dimethyl-1-octanol 65.16
    1-chlorooctane 80.57
    1-chlorotetradecane 37.79
    n-nonane 19.35
    undecane 15.94
    tert-butylcyclohexane 28.67
    cyclooctane 27.88
    cyclopentanol 240.17
    tetrahydropyran 633.91
    tert-amyl methyl ether 153.45
    2,5,8-trioxanonane 289.36
    1-hexene 69.43
    2-isopropoxyethanol 227.31
    2,2,2-trifluoroethanol 352.66
    methyl butyrate 439.61

    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