2,3,4-Trimethylbenzaldehyde

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  • Identifiers

    CAS number
    34341-28-1

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 50.49%
    Phenolic 44.59%
    Spicy 44.39%
    Herbal 40.57%
    Nutty 33.81%
    Musty 33.75%
    Green 32.47%
    Floral 32.07%
    Bitter 31.55%
    Powdery 31.34%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.8 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point est.
    103.73 ˚C

  • Synonyms

    • 2,3,4-trimethylbenzaldehyde
    • 34341-28-1
    • 70679-68-4
    • DTXSID30372909
    • MFCD01652197
    • SCHEMBL366594
    • DTXCID80323941
    • JBA34128
    • AKOS004907327
    • SY361047
    • EN300-746797
    • Z1216815451
    • 840-871-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 453.84
    methanol 418.09
    isopropanol 259.33
    water 2.39
    ethyl acetate 1245.65
    n-propanol 430.12
    acetone 1082.96
    n-butanol 317.67
    acetonitrile 1300.16
    DMF 1347.98
    toluene 492.93
    isobutanol 238.22
    1,4-dioxane 2661.49
    methyl acetate 1213.75
    THF 2775.12
    2-butanone 1185.61
    n-pentanol 185.98
    sec-butanol 242.58
    n-hexane 53.18
    ethylene glycol 67.28
    NMP 1076.29
    cyclohexane 97.16
    DMSO 1156.17
    n-butyl acetate 553.88
    n-octanol 79.28
    chloroform 2174.17
    n-propyl acetate 453.71
    acetic acid 319.05
    dichloromethane 3361.92
    cyclohexanone 1494.78
    propylene glycol 54.37
    isopropyl acetate 467.98
    DMAc 613.05
    2-ethoxyethanol 394.65
    isopentanol 221.65
    n-heptane 46.28
    ethyl formate 690.52
    1,2-dichloroethane 2810.74
    n-hexanol 285.08
    2-methoxyethanol 703.32
    isobutyl acetate 199.44
    tetrachloromethane 423.3
    n-pentyl acetate 234.73
    transcutol 1072.89
    n-heptanol 110.82
    ethylbenzene 227.59
    MIBK 348.84
    2-propoxyethanol 599.34
    tert-butanol 327.94
    MTBE 518.12
    2-butoxyethanol 241.55
    propionic acid 419.9
    o-xylene 237.25
    formic acid 166.64
    diethyl ether 1189.42
    m-xylene 263.79
    p-xylene 256.78
    chlorobenzene 747.26
    dimethyl carbonate 395.28
    n-octane 20.41
    formamide 616.57
    cyclopentanone 2290.8
    2-pentanone 848.62
    anisole 560.49
    cyclopentyl methyl ether 993.9
    gamma-butyrolactone 2444.53
    1-methoxy-2-propanol 436.33
    pyridine 1447.72
    3-pentanone 811.86
    furfural 1253.29
    n-dodecane 12.24
    diethylene glycol 314.84
    diisopropyl ether 207.28
    tert-amyl alcohol 249.35
    acetylacetone 762.73
    n-hexadecane 15.04
    acetophenone 338.54
    methyl propionate 1033.42
    isopentyl acetate 414.95
    trichloroethylene 3417.37
    n-nonanol 80.4
    cyclohexanol 290.12
    benzyl alcohol 243.16
    2-ethylhexanol 157.96
    isooctanol 92.03
    dipropyl ether 348.68
    1,2-dichlorobenzene 601.93
    ethyl lactate 119.83
    propylene carbonate 716.22
    n-methylformamide 1063.56
    2-pentanol 190.8
    n-pentane 51.94
    1-propoxy-2-propanol 325.5
    1-methoxy-2-propyl acetate 542.27
    2-(2-methoxypropoxy) propanol 205.86
    mesitylene 156.68
    ε-caprolactone 1031.82
    p-cymene 110.24
    epichlorohydrin 3352.96
    1,1,1-trichloroethane 1752.19
    2-aminoethanol 156.04
    morpholine-4-carbaldehyde 1241.71
    sulfolane 1753.95
    2,2,4-trimethylpentane 23.34
    2-methyltetrahydrofuran 1667.44
    n-hexyl acetate 292.74
    isooctane 23.66
    2-(2-butoxyethoxy)ethanol 309.35
    sec-butyl acetate 255.86
    tert-butyl acetate 496.69
    decalin 48.75
    glycerin 89.4
    diglyme 792.1
    acrylic acid 322.56
    isopropyl myristate 118.53
    n-butyric acid 498.16
    acetyl acetate 496.32
    di(2-ethylhexyl) phthalate 92.57
    ethyl propionate 490.39
    nitromethane 1499.54
    1,2-diethoxyethane 640.99
    benzonitrile 407.1
    trioctyl phosphate 69.17
    1-bromopropane 1025.17
    gamma-valerolactone 2196.46
    n-decanol 62.38
    triethyl phosphate 159.32
    4-methyl-2-pentanol 105.43
    propionitrile 925.68
    vinylene carbonate 718.08
    1,1,2-trichlorotrifluoroethane 613.83
    DMS 352.59
    cumene 126.45
    2-octanol 68.04
    2-hexanone 435.23
    octyl acetate 142.84
    limonene 158.52
    1,2-dimethoxyethane 987.49
    ethyl orthosilicate 155.9
    tributyl phosphate 95.38
    diacetone alcohol 360.47
    N,N-dimethylaniline 241.26
    acrylonitrile 1132.41
    aniline 490.9
    1,3-propanediol 277.8
    bromobenzene 796.76
    dibromomethane 1861.5
    1,1,2,2-tetrachloroethane 1896.32
    2-methyl-cyclohexyl acetate 240.31
    tetrabutyl urea 122.52
    diisobutyl methanol 96.48
    2-phenylethanol 302.78
    styrene 289.79
    dioctyl adipate 165.97
    dimethyl sulfate 494.77
    ethyl butyrate 399.6
    methyl lactate 184.8
    butyl lactate 122.95
    diethyl carbonate 264.86
    propanediol butyl ether 122.04
    triethyl orthoformate 243.89
    p-tert-butyltoluene 112.15
    methyl 4-tert-butylbenzoate 247.73
    morpholine 2303.69
    tert-butylamine 219.1
    n-dodecanol 48.26
    dimethoxymethane 1092.66
    ethylene carbonate 653.92
    cyrene 225.37
    2-ethoxyethyl acetate 428.69
    2-ethylhexyl acetate 332.62
    1,2,4-trichlorobenzene 630.2
    4-methylpyridine 1085.34
    dibutyl ether 188.19
    2,6-dimethyl-4-heptanol 96.48
    DEF 864.06
    dimethyl isosorbide 568.0
    tetrachloroethylene 1257.43
    eugenol 222.93
    triacetin 233.17
    span 80 157.7
    1,4-butanediol 77.72
    1,1-dichloroethane 1837.86
    2-methyl-1-pentanol 153.43
    methyl formate 810.82
    2-methyl-1-butanol 209.74
    n-decane 21.09
    butyronitrile 671.78
    3,7-dimethyl-1-octanol 89.35
    1-chlorooctane 100.45
    1-chlorotetradecane 40.22
    n-nonane 19.98
    undecane 15.82
    tert-butylcyclohexane 41.86
    cyclooctane 33.09
    cyclopentanol 421.55
    tetrahydropyran 1935.8
    tert-amyl methyl ether 346.56
    2,5,8-trioxanonane 423.03
    1-hexene 188.81
    2-isopropoxyethanol 232.48
    2,2,2-trifluoroethanol 202.1
    methyl butyrate 555.18

    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) 1.75%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 5.42%
Bupleurum gibraltarium (Spain) Bupleurum gibraltarium Lam., fam. Apiaceae (Umbelliferae) 17.2%