CID 168009879

Overview IFRA Request a quote

  • Identifiers

    CAS number
    86893-19-8

    Molecular formula
    C136H158N26O31

    SMILES
    CC1(CC2C(=CC3=NC=C(C=C3)C(=O)NCCCN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)C(=O)NCCN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)N)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)NC(=O)OCC=C)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)CN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)CO)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)C(=O)NCC(=O)N)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)N)C(=O)N2C1C(=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.61%
    Savory 34.8%
    Cooling 31.2%
    Meaty 27.91%
    Roasted 23.1%
    Cooked 20.6%
    Popcorn 18.88%
    Bitter 15.98%
    Animal 15.84%
    Fishy 15.49%

     

    Flavor
    Bitter 89.47%
    Odorless 41.73%
    Bland 27.44%
    Sweet-like 20.55%
    Cedarleaf 19.71%
    Nitrile 19.48%
    Heather 18.34%
    Bread crust 18.23%
    Mild 18.22%
    Taco 18.18%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    5.0 (weak acid)

    Molecular weight
    2652.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    799°C

    Flash point

    • 283.14 ˚C est.

  • Synonyms

    • 86893-19-8
    • CID 162205393
    • ZSCVPEFTSOGWDC-UHFFFAOYSA-N
    • C136H158N26O31
    • 86893-19-8

  • Applications

    For CID 168009879 (CAS 86893-19-8), practical applications include serving as an intermediate in organic synthesis; functioning as a solvent or processing aid in industrial manufacturing; used as a fragrance ingredient or odorant component in perfumery; employed as a solvent or excipient in cosmetics and personal care; used in coatings and inks as a solvent or processing aid; evaluated as a processing aid or additive in the polymers/plastics sector.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.34
    methanol 17.4
    isopropanol 3.56
    water 2.31
    ethyl acetate 1.71
    n-propanol 5.8
    acetone 3.29
    n-butanol 4.79
    acetonitrile 3.79
    DMF 16.77
    toluene 0.34
    isobutanol 2.82
    1,4-dioxane 2.3
    methyl acetate 2.1
    THF 7.0
    2-butanone 4.29
    n-pentanol 3.5
    sec-butanol 2.74
    n-hexane 0.03
    ethylene glycol 11.88
    NMP 17.04
    cyclohexane 0.03
    DMSO 17.23
    n-butyl acetate 1.33
    n-octanol 0.58
    chloroform 5.85
    n-propyl acetate 1.57
    acetic acid 32.99
    dichloromethane 5.11
    cyclohexanone 6.39
    propylene glycol 11.47
    isopropyl acetate 0.91
    DMAc 26.69
    2-ethoxyethanol 15.68
    isopentanol 3.09
    n-heptane 0.03
    ethyl formate 4.41
    1,2-dichloroethane 2.49
    n-hexanol 1.89
    2-methoxyethanol 36.19
    isobutyl acetate 0.96
    tetrachloromethane 0.59
    n-pentyl acetate 1.32
    transcutol 11.36
    n-heptanol 1.33
    ethylbenzene 0.2
    MIBK 1.72
    2-propoxyethanol 13.55
    tert-butanol 1.57
    MTBE 0.33
    2-butoxyethanol 8.36
    propionic acid 7.72
    o-xylene 0.23
    formic acid 74.39
    diethyl ether 0.63
    m-xylene 0.29
    p-xylene 0.34
    chlorobenzene 0.67
    dimethyl carbonate 2.49
    n-octane 0.02
    formamide 56.25
    cyclopentanone 8.63
    2-pentanone 3.11
    anisole 0.49
    cyclopentyl methyl ether 1.17
    gamma-butyrolactone 10.39
    1-methoxy-2-propanol 17.09
    pyridine 3.9
    3-pentanone 1.89
    furfural 13.67
    n-dodecane 0.02
    diethylene glycol 21.49
    diisopropyl ether 0.12
    tert-amyl alcohol 1.4
    acetylacetone 2.84
    n-hexadecane 0.02
    acetophenone 1.57
    methyl propionate 2.7
    isopentyl acetate 1.32
    trichloroethylene 7.29
    n-nonanol 0.65
    cyclohexanol 1.59
    benzyl alcohol 2.6
    2-ethylhexanol 0.71
    isooctanol 0.93
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.79
    ethyl lactate 3.79
    propylene carbonate 4.9
    n-methylformamide 19.48
    2-pentanol 1.45
    n-pentane 0.04
    1-propoxy-2-propanol 5.53
    1-methoxy-2-propyl acetate 2.59
    2-(2-methoxypropoxy) propanol 4.27
    mesitylene 0.15
    ε-caprolactone 5.77
    p-cymene 0.21
    epichlorohydrin 11.49
    1,1,1-trichloroethane 1.21
    2-aminoethanol 16.64
    morpholine-4-carbaldehyde 14.04
    sulfolane 14.93
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.07
    n-hexyl acetate 1.11
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.65
    sec-butyl acetate 0.77
    tert-butyl acetate 0.74
    decalin 0.02
    glycerin 31.76
    diglyme 8.43
    acrylic acid 12.94
    isopropyl myristate 0.35
    n-butyric acid 9.01
    acetyl acetate 1.27
    di(2-ethylhexyl) phthalate 1.38
    ethyl propionate 1.23
    nitromethane 22.89
    1,2-diethoxyethane 1.08
    benzonitrile 2.26
    trioctyl phosphate 0.9
    1-bromopropane 0.9
    gamma-valerolactone 21.3
    n-decanol 0.46
    triethyl phosphate 0.91
    4-methyl-2-pentanol 0.87
    propionitrile 2.99
    vinylene carbonate 6.09
    1,1,2-trichlorotrifluoroethane 25.22
    DMS 1.43
    cumene 0.16
    2-octanol 0.57
    2-hexanone 2.2
    octyl acetate 0.62
    limonene 0.22
    1,2-dimethoxyethane 6.7
    ethyl orthosilicate 0.78
    tributyl phosphate 0.92
    diacetone alcohol 4.35
    N,N-dimethylaniline 0.47
    acrylonitrile 5.78
    aniline 1.36
    1,3-propanediol 22.16
    bromobenzene 0.48
    dibromomethane 2.25
    1,1,2,2-tetrachloroethane 5.28
    2-methyl-cyclohexyl acetate 1.1
    tetrabutyl urea 1.56
    diisobutyl methanol 0.34
    2-phenylethanol 2.6
    styrene 0.22
    dioctyl adipate 0.82
    dimethyl sulfate 5.01
    ethyl butyrate 1.0
    methyl lactate 8.1
    butyl lactate 3.73
    diethyl carbonate 0.78
    propanediol butyl ether 7.01
    triethyl orthoformate 0.89
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.11
    morpholine 5.45
    tert-butylamine 0.43
    n-dodecanol 0.31
    dimethoxymethane 7.02
    ethylene carbonate 4.23
    cyrene 10.29
    2-ethoxyethyl acetate 2.48
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 1.19
    4-methylpyridine 2.49
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.34
    DEF 4.04
    dimethyl isosorbide 6.4
    tetrachloroethylene 3.56
    eugenol 4.3
    triacetin 2.0
    span 80 3.79
    1,4-butanediol 9.51
    1,1-dichloroethane 1.84
    2-methyl-1-pentanol 2.32
    methyl formate 10.73
    2-methyl-1-butanol 2.7
    n-decane 0.03
    butyronitrile 2.91
    3,7-dimethyl-1-octanol 0.54
    1-chlorooctane 0.14
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 3.05
    tetrahydropyran 1.38
    tert-amyl methyl ether 0.42
    2,5,8-trioxanonane 5.68
    1-hexene 0.19
    2-isopropoxyethanol 6.51
    2,2,2-trifluoroethanol 16.05
    methyl butyrate 2.02

    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