2,3-Dimethylbenzaldehyde

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  • Identifiers

    CAS number
    28351-09-9

    Molecular formula
    C9H10O

    SMILES
    CC1=C(C(=CC=C1)C=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1692.0

  • Odor profile

    Fragrance
    Sweet 67.07%
    Almond 54.88%
    Spicy 50.15%
    Phenolic 49.16%
    Bitter 48.65%
    Cherry 48.39%
    Herbal 39.81%
    Nutty 38.43%
    Powdery 37.07%
    Coumarinic 35.88%

     

    Flavor
    Phenolic 50.25%
    Cherry 46.03%
    Almond 41.8%
    Nutty 32.48%
    Sweet 31.59%
    Medicinal 29.32%
    Woody 28.64%
    Spicy 27.35%
    Guaiacol 26.68%
    Spice 25.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.6 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 90.16 ˚C est.

  • Synonyms

    • 2,3-Dimethylbenzaldehyde
    • 5779-93-1
    • DIMETHYLBENZALDEHYDE
    • 28351-09-9
    • MFCD00798004
    • DTXSID901346389
    • Hemellitaldehyde
    • o-Xylene-3-carboxaldehyde
    • Dimethylformylbenzene
    • xylene-formaldehyde
    • 2,3-dimethyl-benzaldehyde
    • 2,3-Dimethyl benzaldehyde
    • SCHEMBL29444
    • 2,3-Dimethylbenzaldehyde, 97%
    • UIFVCPMLQXKEEU-UHFFFAOYSA-N
    • DTXCID401379167
    • AKOS009075841
    • AC-3263
    • CS-W011069
    • PS-5803
    • SY004732
    • DB-005837
    • D3463
    • EN300-22063
    • Z147641438
    • InChI=1/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H

  • Applications

    2,3-Dimethylbenzaldehyde (CAS 28351-09-9) is generally used as an organic synthesis intermediate and as a fragrance-related material. In practice, it is commonly employed as an aroma compound or fragrance intermediate in perfumery and cosmetics, and may be used in household products to contribute scent. It also serves as a chemical building block in industrial manufacturing, including routes to dyes, specialty polymers, and coatings/inks. Depending on formulation and regulatory context, other downstream applications may be explored, but such uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 137.96
    methanol 159.43
    isopropanol 83.6
    water 1.74
    ethyl acetate 314.59
    n-propanol 132.37
    acetone 160.68
    n-butanol 97.13
    acetonitrile 318.75
    DMF 293.43
    toluene 131.46
    isobutanol 67.92
    1,4-dioxane 878.17
    methyl acetate 309.02
    THF 422.22
    2-butanone 233.64
    n-pentanol 68.16
    sec-butanol 70.22
    n-hexane 20.13
    ethylene glycol 40.29
    NMP 147.47
    cyclohexane 30.72
    DMSO 269.71
    n-butyl acetate 202.3
    n-octanol 44.37
    chloroform 756.28
    n-propyl acetate 130.4
    acetic acid 127.17
    dichloromethane 738.55
    cyclohexanone 273.13
    propylene glycol 28.08
    isopropyl acetate 132.29
    DMAc 157.36
    2-ethoxyethanol 146.2
    isopentanol 80.4
    n-heptane 18.63
    ethyl formate 153.47
    1,2-dichloroethane 674.55
    n-hexanol 146.88
    2-methoxyethanol 254.73
    isobutyl acetate 74.28
    tetrachloromethane 135.63
    n-pentyl acetate 87.55
    transcutol 668.52
    n-heptanol 61.1
    ethylbenzene 80.56
    MIBK 99.8
    2-propoxyethanol 271.99
    tert-butanol 141.33
    MTBE 154.35
    2-butoxyethanol 132.06
    propionic acid 151.16
    o-xylene 86.89
    formic acid 76.13
    diethyl ether 323.61
    m-xylene 84.01
    p-xylene 89.78
    chlorobenzene 221.95
    dimethyl carbonate 118.2
    n-octane 8.22
    formamide 188.82
    cyclopentanone 274.81
    2-pentanone 158.64
    anisole 197.35
    cyclopentyl methyl ether 166.31
    gamma-butyrolactone 376.86
    1-methoxy-2-propanol 158.99
    pyridine 408.78
    3-pentanone 167.15
    furfural 320.41
    n-dodecane 5.43
    diethylene glycol 184.78
    diisopropyl ether 68.02
    tert-amyl alcohol 92.8
    acetylacetone 187.65
    n-hexadecane 6.49
    acetophenone 128.19
    methyl propionate 228.65
    isopentyl acetate 156.5
    trichloroethylene 900.11
    n-nonanol 44.67
    cyclohexanol 81.79
    benzyl alcohol 96.63
    2-ethylhexanol 82.16
    isooctanol 50.23
    dipropyl ether 137.73
    1,2-dichlorobenzene 211.92
    ethyl lactate 54.4
    propylene carbonate 160.15
    n-methylformamide 230.85
    2-pentanol 62.07
    n-pentane 16.35
    1-propoxy-2-propanol 161.14
    1-methoxy-2-propyl acetate 207.74
    2-(2-methoxypropoxy) propanol 130.04
    mesitylene 56.29
    ε-caprolactone 229.4
    p-cymene 48.67
    epichlorohydrin 588.96
    1,1,1-trichloroethane 467.56
    2-aminoethanol 80.88
    morpholine-4-carbaldehyde 334.93
    sulfolane 315.23
    2,2,4-trimethylpentane 8.62
    2-methyltetrahydrofuran 264.68
    n-hexyl acetate 112.11
    isooctane 9.36
    2-(2-butoxyethoxy)ethanol 178.72
    sec-butyl acetate 84.54
    tert-butyl acetate 159.04
    decalin 19.04
    glycerin 57.95
    diglyme 402.68
    acrylic acid 132.66
    isopropyl myristate 53.83
    n-butyric acid 174.73
    acetyl acetate 157.35
    di(2-ethylhexyl) phthalate 46.6
    ethyl propionate 153.61
    nitromethane 385.38
    1,2-diethoxyethane 299.51
    benzonitrile 132.89
    trioctyl phosphate 33.35
    1-bromopropane 247.53
    gamma-valerolactone 424.73
    n-decanol 34.77
    triethyl phosphate 71.92
    4-methyl-2-pentanol 48.15
    propionitrile 249.21
    vinylene carbonate 187.0
    1,1,2-trichlorotrifluoroethane 231.75
    DMS 143.24
    cumene 54.81
    2-octanol 35.08
    2-hexanone 124.05
    octyl acetate 63.9
    limonene 63.18
    1,2-dimethoxyethane 351.35
    ethyl orthosilicate 71.63
    tributyl phosphate 44.86
    diacetone alcohol 151.29
    N,N-dimethylaniline 111.3
    acrylonitrile 316.65
    aniline 146.44
    1,3-propanediol 114.36
    bromobenzene 232.21
    dibromomethane 469.74
    1,1,2,2-tetrachloroethane 609.23
    2-methyl-cyclohexyl acetate 105.73
    tetrabutyl urea 57.04
    diisobutyl methanol 51.46
    2-phenylethanol 141.77
    styrene 99.81
    dioctyl adipate 74.75
    dimethyl sulfate 157.37
    ethyl butyrate 144.86
    methyl lactate 76.14
    butyl lactate 59.46
    diethyl carbonate 106.95
    propanediol butyl ether 67.54
    triethyl orthoformate 102.31
    p-tert-butyltoluene 49.74
    methyl 4-tert-butylbenzoate 114.71
    morpholine 660.17
    tert-butylamine 89.85
    n-dodecanol 27.41
    dimethoxymethane 288.54
    ethylene carbonate 167.04
    cyrene 100.56
    2-ethoxyethyl acetate 166.85
    2-ethylhexyl acetate 125.23
    1,2,4-trichlorobenzene 215.8
    4-methylpyridine 260.94
    dibutyl ether 85.69
    2,6-dimethyl-4-heptanol 51.46
    DEF 185.19
    dimethyl isosorbide 254.96
    tetrachloroethylene 424.72
    eugenol 118.52
    triacetin 106.18
    span 80 89.24
    1,4-butanediol 36.88
    1,1-dichloroethane 447.56
    2-methyl-1-pentanol 60.08
    methyl formate 166.19
    2-methyl-1-butanol 65.55
    n-decane 9.25
    butyronitrile 162.01
    3,7-dimethyl-1-octanol 50.82
    1-chlorooctane 43.59
    1-chlorotetradecane 18.78
    n-nonane 8.56
    undecane 6.89
    tert-butylcyclohexane 18.24
    cyclooctane 11.36
    cyclopentanol 84.18
    tetrahydropyran 440.88
    tert-amyl methyl ether 106.55
    2,5,8-trioxanonane 257.82
    1-hexene 69.06
    2-isopropoxyethanol 103.77
    2,2,2-trifluoroethanol 84.1
    methyl butyrate 161.7

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.16%