2-(1H-Benzimidazol-2-yl)-5-methoxyaniline

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C5H12S4

    SMILES
    CCC(SC)SSSC

  • Odor profile

    Sulfurous 81.76%
    Onion 78.73%
    Garlic 71.87%
    Alliaceous 64.96%
    Savory 52.36%
    Roasted 51.81%
    Cooked 51.81%
    Meaty 45.7%
    Pungent 44.62%
    Green 41.74%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    2.11 (strong acid)

    Molecular weight
    200.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point est.
    120.66 ˚C

  • Synonyms

    • FLXQNPJSNNWYNL-UHFFFAOYSA-N
    • 5-Ethyl-2,3,4,6-tetrathiaheptane
    • Trisulfide, methyl 1-(methylthio)propyl
    • 2-(1H-Benzimidazol-2-yl)-5-methoxyaniline

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 198.66
    methanol 124.68
    isopropanol 174.88
    water 0.06
    ethyl acetate 619.23
    n-propanol 198.14
    acetone 1070.15
    n-butanol 202.35
    acetonitrile 417.53
    DMF 1346.55
    toluene 854.09
    isobutanol 162.45
    1,4-dioxane 1556.8
    methyl acetate 608.75
    THF 2418.07
    2-butanone 820.74
    n-pentanol 156.63
    sec-butanol 179.76
    n-hexane 42.12
    ethylene glycol 35.79
    NMP 1441.96
    cyclohexane 289.49
    DMSO 1228.51
    n-butyl acetate 853.94
    n-octanol 200.85
    chloroform 1560.6
    n-propyl acetate 459.34
    acetic acid 265.93
    dichloromethane 1527.88
    cyclohexanone 2133.64
    propylene glycol 65.38
    isopropyl acetate 384.93
    DMAc 856.22
    2-ethoxyethanol 268.94
    isopentanol 170.94
    n-heptane 134.94
    ethyl formate 391.01
    1,2-dichloroethane 931.57
    n-hexanol 281.65
    2-methoxyethanol 399.46
    isobutyl acetate 297.54
    tetrachloromethane 352.25
    n-pentyl acetate 467.75
    transcutol 876.84
    n-heptanol 162.11
    ethylbenzene 275.92
    MIBK 389.74
    2-propoxyethanol 445.6
    tert-butanol 263.53
    MTBE 397.96
    2-butoxyethanol 271.87
    propionic acid 229.57
    o-xylene 414.07
    formic acid 34.44
    diethyl ether 436.55
    m-xylene 434.11
    p-xylene 373.35
    chlorobenzene 899.69
    dimethyl carbonate 209.98
    n-octane 55.13
    formamide 96.58
    cyclopentanone 2213.2
    2-pentanone 702.97
    anisole 555.52
    cyclopentyl methyl ether 928.2
    gamma-butyrolactone 1599.15
    1-methoxy-2-propanol 324.32
    pyridine 1623.98
    3-pentanone 584.15
    furfural 1518.87
    n-dodecane 45.18
    diethylene glycol 249.04
    diisopropyl ether 174.17
    tert-amyl alcohol 214.73
    acetylacetone 885.23
    n-hexadecane 54.74
    acetophenone 552.81
    methyl propionate 481.52
    isopentyl acetate 613.77
    trichloroethylene 1986.2
    n-nonanol 185.17
    cyclohexanol 452.73
    benzyl alcohol 356.63
    2-ethylhexanol 255.26
    isooctanol 140.06
    dipropyl ether 482.24
    1,2-dichlorobenzene 761.7
    ethyl lactate 155.99
    propylene carbonate 797.63
    n-methylformamide 350.42
    2-pentanol 148.1
    n-pentane 52.7
    1-propoxy-2-propanol 419.26
    1-methoxy-2-propyl acetate 604.62
    2-(2-methoxypropoxy) propanol 291.12
    mesitylene 276.32
    ε-caprolactone 1189.66
    p-cymene 279.75
    epichlorohydrin 1463.82
    1,1,1-trichloroethane 1191.63
    2-aminoethanol 76.61
    morpholine-4-carbaldehyde 1425.35
    sulfolane 1886.76
    2,2,4-trimethylpentane 35.08
    2-methyltetrahydrofuran 1435.51
    n-hexyl acetate 526.27
    isooctane 32.55
    2-(2-butoxyethoxy)ethanol 395.38
    sec-butyl acetate 297.63
    tert-butyl acetate 483.62
    decalin 101.95
    glycerin 91.8
    diglyme 870.05
    acrylic acid 216.13
    isopropyl myristate 266.87
    n-butyric acid 357.62
    acetyl acetate 425.02
    di(2-ethylhexyl) phthalate 213.85
    ethyl propionate 347.02
    nitromethane 686.96
    1,2-diethoxyethane 642.01
    benzonitrile 751.7
    trioctyl phosphate 170.26
    1-bromopropane 513.31
    gamma-valerolactone 2200.85
    n-decanol 146.46
    triethyl phosphate 240.18
    4-methyl-2-pentanol 100.1
    propionitrile 345.52
    vinylene carbonate 796.16
    1,1,2-trichlorotrifluoroethane 698.9
    DMS 386.52
    cumene 170.27
    2-octanol 145.72
    2-hexanone 501.38
    octyl acetate 306.56
    limonene 461.8
    1,2-dimethoxyethane 792.71
    ethyl orthosilicate 228.81
    tributyl phosphate 204.25
    diacetone alcohol 416.87
    N,N-dimethylaniline 349.35
    acrylonitrile 468.31
    aniline 545.15
    1,3-propanediol 147.85
    bromobenzene 1129.89
    dibromomethane 979.64
    1,1,2,2-tetrachloroethane 1350.96
    2-methyl-cyclohexyl acetate 470.4
    tetrabutyl urea 318.25
    diisobutyl methanol 195.66
    2-phenylethanol 447.06
    styrene 403.2
    dioctyl adipate 345.43
    dimethyl sulfate 359.95
    ethyl butyrate 558.46
    methyl lactate 162.86
    butyl lactate 269.26
    diethyl carbonate 322.73
    propanediol butyl ether 239.85
    triethyl orthoformate 377.42
    p-tert-butyltoluene 281.87
    methyl 4-tert-butylbenzoate 420.25
    morpholine 1364.12
    tert-butylamine 173.25
    n-dodecanol 123.55
    dimethoxymethane 622.12
    ethylene carbonate 638.5
    cyrene 441.42
    2-ethoxyethyl acetate 580.4
    2-ethylhexyl acetate 565.79
    1,2,4-trichlorobenzene 852.21
    4-methylpyridine 1419.14
    dibutyl ether 390.63
    2,6-dimethyl-4-heptanol 195.66
    DEF 712.44
    dimethyl isosorbide 805.14
    tetrachloroethylene 819.81
    eugenol 359.52
    triacetin 455.01
    span 80 345.97
    1,4-butanediol 71.84
    1,1-dichloroethane 926.22
    2-methyl-1-pentanol 145.16
    methyl formate 350.68
    2-methyl-1-butanol 159.19
    n-decane 74.73
    butyronitrile 424.07
    3,7-dimethyl-1-octanol 214.07
    1-chlorooctane 247.31
    1-chlorotetradecane 115.02
    n-nonane 74.33
    undecane 56.07
    tert-butylcyclohexane 72.8
    cyclooctane 102.09
    cyclopentanol 488.14
    tetrahydropyran 1540.62
    tert-amyl methyl ether 309.92
    2,5,8-trioxanonane 606.87
    1-hexene 154.88
    2-isopropoxyethanol 216.88
    2,2,2-trifluoroethanol 100.52
    methyl butyrate 492.57

    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
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.79%