1,2,4-Triethylbenzene

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  • Identifiers

    CAS number
    877-44-1

    Molecular formula
    C12H18

    SMILES
    CCC1=CC(=C(C=C1)CC)CC

  • Odor profile

    Herbal 44.91%
    Spicy 42.68%
    Earthy 35.36%
    Phenolic 33.39%
    Woody 32.56%
    Sweet 32.42%
    Green 29.95%
    Burnt 29.89%
    Gassy 29.69%
    Musty 28.27%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    162.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point est.
    84.05 ˚C

  • Synonyms

    • 1,2,4-TRIETHYLBENZENE
    • 877-44-1
    • Benzene, 1,2,4-triethyl-
    • Benzene,1,2,4-triethyl-
    • EINECS 212-892-0
    • V9XQ8U6QVK
    • UNII-V9XQ8U6QVK
    • DTXSID9075034
    • Benzene, 1,2,4-triethyl-; 1,2,4-Triethylbenzene
    • starbld0018440
    • 1,2,4-triethyl-benzene
    • DTXCID1048594
    • 1,2,4-Triethylbenzene, 97%
    • 1,2,4-TEB
    • MFCD00042889
    • AKOS015902458
    • NS00039218
    • 212-892-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 437.86
    methanol 263.4
    isopropanol 398.56
    water 0.03
    ethyl acetate 1793.19
    n-propanol 516.21
    acetone 1973.3
    n-butanol 569.57
    acetonitrile 1249.15
    DMF 1644.78
    toluene 1891.12
    isobutanol 434.84
    1,4-dioxane 3360.07
    methyl acetate 1473.11
    THF 4279.36
    2-butanone 1783.44
    n-pentanol 428.81
    sec-butanol 446.26
    n-hexane 1361.46
    ethylene glycol 23.78
    NMP 1856.41
    cyclohexane 1751.93
    DMSO 969.52
    n-butyl acetate 3970.23
    n-octanol 549.23
    chloroform 4164.66
    n-propyl acetate 1412.51
    acetic acid 287.13
    dichloromethane 5146.07
    cyclohexanone 3448.43
    propylene glycol 42.86
    isopropyl acetate 1089.46
    DMAc 1082.04
    2-ethoxyethanol 379.19
    isopentanol 547.56
    n-heptane 1381.51
    ethyl formate 935.07
    1,2-dichloroethane 4090.74
    n-hexanol 1210.81
    2-methoxyethanol 500.46
    isobutyl acetate 993.63
    tetrachloromethane 1316.53
    n-pentyl acetate 1344.56
    transcutol 1401.48
    n-heptanol 521.4
    ethylbenzene 1038.78
    MIBK 995.11
    2-propoxyethanol 993.91
    tert-butanol 621.55
    MTBE 1753.8
    2-butoxyethanol 526.15
    propionic acid 351.93
    o-xylene 923.95
    formic acid 24.5
    diethyl ether 2982.44
    m-xylene 1018.93
    p-xylene 1204.23
    chlorobenzene 2077.33
    dimethyl carbonate 484.87
    n-octane 471.76
    formamide 78.4
    cyclopentanone 3363.9
    2-pentanone 1696.57
    anisole 1272.67
    cyclopentyl methyl ether 2487.86
    gamma-butyrolactone 2829.04
    1-methoxy-2-propanol 425.61
    pyridine 3025.82
    3-pentanone 1654.02
    furfural 1480.97
    n-dodecane 241.43
    diethylene glycol 252.8
    diisopropyl ether 916.54
    tert-amyl alcohol 556.09
    acetylacetone 1332.62
    n-hexadecane 292.9
    acetophenone 945.72
    methyl propionate 1166.46
    isopentyl acetate 2420.57
    trichloroethylene 5051.91
    n-nonanol 498.11
    cyclohexanol 906.99
    benzyl alcohol 464.62
    2-ethylhexanol 1136.35
    isooctanol 464.71
    dipropyl ether 3405.44
    1,2-dichlorobenzene 1772.05
    ethyl lactate 251.99
    propylene carbonate 1490.43
    n-methylformamide 487.62
    2-pentanol 473.59
    n-pentane 749.15
    1-propoxy-2-propanol 948.05
    1-methoxy-2-propyl acetate 1357.45
    2-(2-methoxypropoxy) propanol 467.82
    mesitylene 730.71
    ε-caprolactone 2140.52
    p-cymene 826.71
    epichlorohydrin 3120.7
    1,1,1-trichloroethane 3510.25
    2-aminoethanol 69.77
    morpholine-4-carbaldehyde 1523.78
    sulfolane 2333.31
    2,2,4-trimethylpentane 259.54
    2-methyltetrahydrofuran 3595.28
    n-hexyl acetate 1574.92
    isooctane 238.29
    2-(2-butoxyethoxy)ethanol 601.49
    sec-butyl acetate 856.33
    tert-butyl acetate 1147.73
    decalin 622.6
    glycerin 54.0
    diglyme 1517.19
    acrylic acid 242.13
    isopropyl myristate 749.36
    n-butyric acid 722.41
    acetyl acetate 857.14
    di(2-ethylhexyl) phthalate 391.34
    ethyl propionate 1225.73
    nitromethane 781.02
    1,2-diethoxyethane 2351.47
    benzonitrile 1153.32
    trioctyl phosphate 357.54
    1-bromopropane 3312.67
    gamma-valerolactone 2504.83
    n-decanol 391.18
    triethyl phosphate 638.17
    4-methyl-2-pentanol 307.32
    propionitrile 1360.26
    vinylene carbonate 1215.54
    1,1,2-trichlorotrifluoroethane 769.1
    DMS 900.39
    cumene 644.74
    2-octanol 454.57
    2-hexanone 1526.74
    octyl acetate 809.57
    limonene 1424.74
    1,2-dimethoxyethane 1913.1
    ethyl orthosilicate 641.84
    tributyl phosphate 486.29
    diacetone alcohol 624.8
    N,N-dimethylaniline 836.32
    acrylonitrile 1191.07
    aniline 898.51
    1,3-propanediol 157.93
    bromobenzene 2806.52
    dibromomethane 3935.41
    1,1,2,2-tetrachloroethane 3665.97
    2-methyl-cyclohexyl acetate 1121.85
    tetrabutyl urea 691.8
    diisobutyl methanol 619.38
    2-phenylethanol 760.28
    styrene 1361.84
    dioctyl adipate 789.63
    dimethyl sulfate 595.52
    ethyl butyrate 2162.47
    methyl lactate 199.67
    butyl lactate 503.55
    diethyl carbonate 1136.5
    propanediol butyl ether 295.15
    triethyl orthoformate 1219.38
    p-tert-butyltoluene 746.43
    methyl 4-tert-butylbenzoate 743.83
    morpholine 2839.45
    tert-butylamine 590.65
    n-dodecanol 330.55
    dimethoxymethane 1455.85
    ethylene carbonate 1187.96
    cyrene 428.13
    2-ethoxyethyl acetate 1203.76
    2-ethylhexyl acetate 2356.53
    1,2,4-trichlorobenzene 1649.06
    4-methylpyridine 2745.34
    dibutyl ether 2035.64
    2,6-dimethyl-4-heptanol 619.38
    DEF 1726.84
    dimethyl isosorbide 1227.73
    tetrachloroethylene 2491.81
    eugenol 512.65
    triacetin 747.58
    span 80 491.27
    1,4-butanediol 73.52
    1,1-dichloroethane 3301.5
    2-methyl-1-pentanol 471.27
    methyl formate 487.86
    2-methyl-1-butanol 526.74
    n-decane 446.15
    butyronitrile 1589.31
    3,7-dimethyl-1-octanol 541.27
    1-chlorooctane 1128.76
    1-chlorotetradecane 445.06
    n-nonane 525.19
    undecane 315.01
    tert-butylcyclohexane 496.92
    cyclooctane 730.06
    cyclopentanol 842.35
    tetrahydropyran 4704.74
    tert-amyl methyl ether 1202.34
    2,5,8-trioxanonane 882.39
    1-hexene 2330.46
    2-isopropoxyethanol 348.92
    2,2,2-trifluoroethanol 84.66
    methyl butyrate 1603.48

    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
Clausena dunniana (China) 2 Clausena dunniana Levl., fam. Rutaceae 0.28%