Ardacin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    117742-13-9

    Molecular formula
    C68H60Cl4N8O26

    SMILES
    CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)C(=O)O)O)O.CNC1C2=CC(=C(C=C2)O)OC3=CC(=C(C(=C3)O)Cl)C4C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7Cl)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C(C=C2)C(C(C(=O)N4)NC1=O)O)Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.1%
    Savory 30.22%
    Meaty 21.65%
    Milky 19.23%
    Roasted 17.03%
    Sweet 16.3%
    Cooked 15.91%
    Cooling 15.61%
    Burnt 14.36%
    Caramellic 14.19%

     

    Flavor
    Odorless 57.41%
    Bitter 42.5%
    Very mild 27.55%
    Sweet-like 26.15%
    Bland 25.87%
    Mild 22.75%
    Yeast 21.09%
    Very slight 20.0%
    Cauliflower 19.66%
    Fenugreek 19.49%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.29 (weak acid)

    Molecular weight
    1547.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    970°C

    Flash point

    • 235.42 ˚C est.

  • Synonyms

    • Ardacin
    • 117742-13-9
    • DTXSID40151904
    • AAD 216
    • AAD-216
    • Aridicin
    • DTXCID5074395
    • RefChem:916131
    • SK&F 100814
    • SK&F-100814
    • Z01YSQ279Y
    • SCHEMBL29385970
    • 117742-13-9

  • Applications

    Ardacin, CAS 117742-13-9, is primarily considered as an odorant ingredient in perfumery and fragrances, and is also evaluated as a component in cosmetics, personal care, and household products; it may also be used as an additive in cleaning formulations and industrial processing, and can serve as a solvent, processing aid, or component in coatings, inks, and polymer systems, depending on technical requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.87
    methanol 7.42
    isopropanol 1.3
    water 149.27
    ethyl acetate 0.55
    n-propanol 1.13
    acetone 1.35
    n-butanol 1.07
    acetonitrile 0.6
    DMF 91.35
    toluene 0.61
    isobutanol 0.7
    1,4-dioxane 7.3
    methyl acetate 0.55
    THF 4.86
    2-butanone 0.71
    n-pentanol 0.95
    sec-butanol 1.01
    n-hexane 0.25
    ethylene glycol 36.56
    NMP 77.27
    cyclohexane 0.92
    DMSO 234.29
    n-butyl acetate 0.55
    n-octanol 0.71
    chloroform 0.16
    n-propyl acetate 0.42
    acetic acid 6.48
    dichloromethane 0.32
    cyclohexanone 4.2
    propylene glycol 13.25
    isopropyl acetate 0.5
    DMAc 64.96
    2-ethoxyethanol 16.22
    isopentanol 1.07
    n-heptane 0.64
    ethyl formate 1.09
    1,2-dichloroethane 0.55
    n-hexanol 1.39
    2-methoxyethanol 38.03
    isobutyl acetate 0.21
    tetrachloromethane 0.18
    n-pentyl acetate 0.44
    transcutol 8.68
    n-heptanol 1.18
    ethylbenzene 0.53
    MIBK 0.76
    2-propoxyethanol 8.45
    tert-butanol 2.76
    MTBE 0.62
    2-butoxyethanol 4.63
    propionic acid 1.68
    o-xylene 1.23
    formic acid 105.51
    diethyl ether 0.71
    m-xylene 0.79
    p-xylene 0.66
    chlorobenzene 0.18
    dimethyl carbonate 2.51
    n-octane 0.29
    formamide 77.74
    cyclopentanone 3.85
    2-pentanone 0.85
    anisole 0.81
    cyclopentyl methyl ether 2.52
    gamma-butyrolactone 5.59
    1-methoxy-2-propanol 15.86
    pyridine 2.09
    3-pentanone 1.01
    furfural 10.36
    n-dodecane 0.13
    diethylene glycol 29.21
    diisopropyl ether 0.38
    tert-amyl alcohol 2.04
    acetylacetone 2.53
    n-hexadecane 0.15
    acetophenone 1.58
    methyl propionate 1.34
    isopentyl acetate 0.53
    trichloroethylene 0.47
    n-nonanol 0.77
    cyclohexanol 3.5
    benzyl alcohol 2.13
    2-ethylhexanol 0.85
    isooctanol 0.85
    dipropyl ether 1.43
    1,2-dichlorobenzene 0.29
    ethyl lactate 2.17
    propylene carbonate 2.19
    n-methylformamide 19.81
    2-pentanol 0.88
    n-pentane 0.24
    1-propoxy-2-propanol 4.23
    1-methoxy-2-propyl acetate 1.98
    2-(2-methoxypropoxy) propanol 5.0
    mesitylene 0.71
    ε-caprolactone 3.83
    p-cymene 0.55
    epichlorohydrin 2.94
    1,1,1-trichloroethane 0.14
    2-aminoethanol 19.75
    morpholine-4-carbaldehyde 54.92
    sulfolane 36.45
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 2.03
    n-hexyl acetate 0.55
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 6.33
    sec-butyl acetate 0.31
    tert-butyl acetate 0.85
    decalin 0.25
    glycerin 63.38
    diglyme 11.4
    acrylic acid 3.68
    isopropyl myristate 0.34
    n-butyric acid 1.37
    acetyl acetate 0.64
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 0.6
    nitromethane 8.85
    1,2-diethoxyethane 1.39
    benzonitrile 0.75
    trioctyl phosphate 0.65
    1-bromopropane 0.22
    gamma-valerolactone 16.55
    n-decanol 0.66
    triethyl phosphate 1.05
    4-methyl-2-pentanol 0.65
    propionitrile 0.43
    vinylene carbonate 2.23
    1,1,2-trichlorotrifluoroethane 13.55
    DMS 0.98
    cumene 0.43
    2-octanol 0.6
    2-hexanone 0.57
    octyl acetate 0.49
    limonene 0.87
    1,2-dimethoxyethane 11.37
    ethyl orthosilicate 0.96
    tributyl phosphate 0.55
    diacetone alcohol 4.88
    N,N-dimethylaniline 1.61
    acrylonitrile 1.02
    aniline 1.54
    1,3-propanediol 15.74
    bromobenzene 0.15
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 0.77
    2-methyl-cyclohexyl acetate 0.86
    tetrabutyl urea 1.56
    diisobutyl methanol 0.7
    2-phenylethanol 1.62
    styrene 0.38
    dioctyl adipate 0.66
    dimethyl sulfate 11.01
    ethyl butyrate 0.69
    methyl lactate 7.24
    butyl lactate 1.17
    diethyl carbonate 0.51
    propanediol butyl ether 4.54
    triethyl orthoformate 1.04
    p-tert-butyltoluene 0.53
    methyl 4-tert-butylbenzoate 2.3
    morpholine 10.26
    tert-butylamine 1.02
    n-dodecanol 0.57
    dimethoxymethane 13.43
    ethylene carbonate 1.73
    cyrene 13.17
    2-ethoxyethyl acetate 0.8
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 1.77
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.7
    DEF 7.15
    dimethyl isosorbide 8.41
    tetrachloroethylene 0.81
    eugenol 3.1
    triacetin 1.12
    span 80 3.57
    1,4-butanediol 8.24
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.9
    methyl formate 9.74
    2-methyl-1-butanol 1.0
    n-decane 0.23
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.54
    1-chlorooctane 0.29
    1-chlorotetradecane 0.17
    n-nonane 0.24
    undecane 0.17
    tert-butylcyclohexane 0.13
    cyclooctane 0.54
    cyclopentanol 3.36
    tetrahydropyran 2.19
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 11.54
    1-hexene 0.32
    2-isopropoxyethanol 5.73
    2,2,2-trifluoroethanol 8.95
    methyl butyrate 0.92

    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