2,3,6-Trimethylbenzaldehyde

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  • Identifiers

    CAS number
    34341-29-2

    Molecular formula
    C10H12O

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

  • Odor profile

    Sweet 55.58%
    Phenolic 46.19%
    Spicy 42.98%
    Herbal 39.62%
    Nutty 36.03%
    Floral 35.59%
    Musty 35.05%
    Powdery 33.69%
    Almond 33.46%
    Hay 32.9%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point est.
    100.08 ˚C

  • Synonyms

    • 2,3,6-trimethylbenzaldehyde
    • 34341-29-2
    • Benzaldehyde, 2,3,6-trimethyl- (6CI,8CI,9CI)
    • 2,3,6-Trimethylbenzadehyde
    • DTXSID50437024
    • P3M223NG3R
    • SCHEMBL1311843
    • DTXCID00387848
    • Benzaldehyde, 2,3,6-trimethyl-
    • CHEBI:195894
    • EN300-746790
    • Z1216844627

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 626.09
    methanol 682.08
    isopropanol 431.25
    water 8.81
    ethyl acetate 822.49
    n-propanol 587.65
    acetone 1033.38
    n-butanol 462.76
    acetonitrile 1388.54
    DMF 1135.62
    toluene 409.54
    isobutanol 318.43
    1,4-dioxane 2946.72
    methyl acetate 901.22
    THF 2295.99
    2-butanone 942.06
    n-pentanol 306.22
    sec-butanol 326.05
    n-hexane 155.68
    ethylene glycol 126.22
    NMP 731.92
    cyclohexane 193.81
    DMSO 1074.25
    n-butyl acetate 508.2
    n-octanol 189.4
    chloroform 2099.13
    n-propyl acetate 424.46
    acetic acid 362.42
    dichloromethane 2268.95
    cyclohexanone 1275.05
    propylene glycol 92.59
    isopropyl acetate 400.86
    DMAc 404.78
    2-ethoxyethanol 501.27
    isopentanol 317.63
    n-heptane 89.13
    ethyl formate 529.18
    1,2-dichloroethane 2040.09
    n-hexanol 482.39
    2-methoxyethanol 831.31
    isobutyl acetate 227.98
    tetrachloromethane 508.82
    n-pentyl acetate 300.14
    transcutol 732.57
    n-heptanol 215.7
    ethylbenzene 274.79
    MIBK 372.01
    2-propoxyethanol 756.17
    tert-butanol 460.47
    MTBE 588.73
    2-butoxyethanol 338.98
    propionic acid 437.92
    o-xylene 245.44
    formic acid 189.84
    diethyl ether 1228.74
    m-xylene 268.66
    p-xylene 297.06
    chlorobenzene 602.85
    dimethyl carbonate 285.46
    n-octane 52.27
    formamide 487.74
    cyclopentanone 1544.2
    2-pentanone 723.9
    anisole 529.64
    cyclopentyl methyl ether 922.36
    gamma-butyrolactone 1574.36
    1-methoxy-2-propanol 540.95
    pyridine 1146.95
    3-pentanone 640.16
    furfural 848.87
    n-dodecane 29.67
    diethylene glycol 412.48
    diisopropyl ether 249.06
    tert-amyl alcohol 336.72
    acetylacetone 580.12
    n-hexadecane 34.61
    acetophenone 325.62
    methyl propionate 634.18
    isopentyl acetate 392.05
    trichloroethylene 2279.41
    n-nonanol 168.35
    cyclohexanol 407.57
    benzyl alcohol 271.9
    2-ethylhexanol 241.83
    isooctanol 163.37
    dipropyl ether 435.34
    1,2-dichlorobenzene 487.28
    ethyl lactate 140.56
    propylene carbonate 542.65
    n-methylformamide 893.67
    2-pentanol 306.8
    n-pentane 119.75
    1-propoxy-2-propanol 411.12
    1-methoxy-2-propyl acetate 386.17
    2-(2-methoxypropoxy) propanol 214.79
    mesitylene 178.06
    ε-caprolactone 841.97
    p-cymene 125.49
    epichlorohydrin 2152.75
    1,1,1-trichloroethane 1384.89
    2-aminoethanol 235.93
    morpholine-4-carbaldehyde 954.58
    sulfolane 1351.36
    2,2,4-trimethylpentane 43.43
    2-methyltetrahydrofuran 1478.89
    n-hexyl acetate 400.27
    isooctane 42.53
    2-(2-butoxyethoxy)ethanol 330.35
    sec-butyl acetate 251.89
    tert-butyl acetate 404.47
    decalin 88.34
    glycerin 144.83
    diglyme 710.24
    acrylic acid 318.42
    isopropyl myristate 157.07
    n-butyric acid 485.26
    acetyl acetate 332.49
    di(2-ethylhexyl) phthalate 102.91
    ethyl propionate 426.24
    nitromethane 1199.46
    1,2-diethoxyethane 545.78
    benzonitrile 358.19
    trioctyl phosphate 93.2
    1-bromopropane 1002.66
    gamma-valerolactone 1665.11
    n-decanol 125.62
    triethyl phosphate 148.24
    4-methyl-2-pentanol 165.75
    propionitrile 966.61
    vinylene carbonate 553.56
    1,1,2-trichlorotrifluoroethane 527.44
    DMS 302.51
    cumene 171.81
    2-octanol 152.54
    2-hexanone 500.4
    octyl acetate 197.19
    limonene 183.24
    1,2-dimethoxyethane 1122.53
    ethyl orthosilicate 145.84
    tributyl phosphate 110.88
    diacetone alcohol 365.79
    N,N-dimethylaniline 276.84
    acrylonitrile 1039.01
    aniline 417.7
    1,3-propanediol 376.91
    bromobenzene 603.52
    dibromomethane 1600.42
    1,1,2,2-tetrachloroethane 1481.62
    2-methyl-cyclohexyl acetate 239.79
    tetrabutyl urea 143.88
    diisobutyl methanol 132.34
    2-phenylethanol 340.38
    styrene 322.57
    dioctyl adipate 173.55
    dimethyl sulfate 379.57
    ethyl butyrate 325.98
    methyl lactate 188.27
    butyl lactate 155.46
    diethyl carbonate 217.7
    propanediol butyl ether 176.43
    triethyl orthoformate 215.27
    p-tert-butyltoluene 129.85
    methyl 4-tert-butylbenzoate 264.03
    morpholine 2278.01
    tert-butylamine 306.46
    n-dodecanol 95.66
    dimethoxymethane 941.62
    ethylene carbonate 515.81
    cyrene 214.77
    2-ethoxyethyl acetate 371.11
    2-ethylhexyl acetate 321.54
    1,2,4-trichlorobenzene 472.49
    4-methylpyridine 859.28
    dibutyl ether 295.09
    2,6-dimethyl-4-heptanol 132.34
    DEF 652.46
    dimethyl isosorbide 450.19
    tetrachloroethylene 1084.89
    eugenol 250.79
    triacetin 215.31
    span 80 183.33
    1,4-butanediol 134.47
    1,1-dichloroethane 1498.96
    2-methyl-1-pentanol 216.47
    methyl formate 659.35
    2-methyl-1-butanol 281.29
    n-decane 52.74
    butyronitrile 714.6
    3,7-dimethyl-1-octanol 157.13
    1-chlorooctane 209.17
    1-chlorotetradecane 72.98
    n-nonane 56.07
    undecane 38.4
    tert-butylcyclohexane 79.54
    cyclooctane 73.97
    cyclopentanol 499.13
    tetrahydropyran 1957.62
    tert-amyl methyl ether 387.61
    2,5,8-trioxanonane 391.77
    1-hexene 401.64
    2-isopropoxyethanol 317.79
    2,2,2-trifluoroethanol 203.89
    methyl butyrate 504.89

    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
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 9.61%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 37.55%
Bupleurum gibraltarium (Spain) Bupleurum gibraltarium Lam., fam. Apiaceae (Umbelliferae) 1.8%