Indolebutyroyl aspartic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    101289-65-0

    Molecular formula
    C16H18N2O5

    SMILES
    C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC(=O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.71%
    Savory 38.65%
    Meaty 29.47%
    Cooked 26.52%
    Milky 22.38%
    Cooling 19.84%
    Roasted 19.4%
    Fruity 17.72%
    Bitter 17.57%
    Grape 17.02%

     

    Flavor
    Odorless 67.38%
    Bitter 50.73%
    Mild 35.19%
    Bland 32.43%
    Very mild 28.76%
    Sweet-like 22.58%
    Faint 22.25%
    Yeast 22.1%
    Nitrile 19.9%
    Orange flower 19.26%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    4.65 (weak acid)

    Molecular weight
    318.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    688°C

    Flash point

    • 311.54 ˚C est.

  • Synonyms

    • Indolebutyroyl aspartic acid
    • Auxistim A
    • 101289-65-0
    • UNII-YL6E9848ZV
    • YL6E9848ZV
    • Aspartic acid, N-4-indol-3-ylbutyryl-, L-
    • L-Aspartic acid, N-(4-(1H-indol-3-yl)-1-oxobutyl)-
    • DTXSID80143823
    • RefChem:148205
    • DTXCID1066314
    • INDOLEBUTYROYL ASPARTIC ACID [INCI]
    • (2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioic Acid
    • (4-(1H-indol-3-yl)butanoyl)-L-aspartic acid
    • N-[4-(1H-indol-3-yl)butanoyl]-L-aspartic acid
    • Indole-3-butyryl-L-aspartic Acid
    • orb1696938
    • STL562850
    • AKOS032434734
    • (S)-2-(4-(1H-indol-3-yl)butanamido)succinic acid
    • Q21547092
    • 101289-65-0

  • Applications

    Indolebutyroyl aspartic acid (CAS 101289-65-0) is primarily encountered in fragrance chemistry as an odorant and fragrance intermediate, where the indole-derived moiety imparts characteristic notes and the compound can function as a fixative or precursor to more complex scent molecules. It is also used in cosmetics and personal care formulations as a fragrance ingredient, providing aroma in products such as creams, lotions, and shampoos. In household cleaning products, it may be employed as a fragrance additive to impart or maintain a pleasant scent. The compound can be considered an intermediate in the synthesis of other fragrance compounds for industrial manufacturing, and may be used as a scented additive in coatings or inks to provide lasting fragrance. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.61
    methanol 8.11
    isopropanol 1.45
    water 1.24
    ethyl acetate 0.48
    n-propanol 2.04
    acetone 3.77
    n-butanol 1.39
    acetonitrile 0.55
    DMF 91.35
    toluene 0.01
    isobutanol 0.85
    1,4-dioxane 2.14
    methyl acetate 1.83
    THF 7.52
    2-butanone 2.97
    n-pentanol 1.33
    sec-butanol 1.64
    n-hexane 0.02
    ethylene glycol 10.81
    NMP 40.21
    cyclohexane 0.0
    DMSO 69.57
    n-butyl acetate 0.38
    n-octanol 0.21
    chloroform 0.08
    n-propyl acetate 0.7
    acetic acid 11.18
    dichloromethane 0.14
    cyclohexanone 1.5
    propylene glycol 9.49
    isopropyl acetate 0.31
    DMAc 135.25
    2-ethoxyethanol 35.84
    isopentanol 1.08
    n-heptane 0.01
    ethyl formate 1.41
    1,2-dichloroethane 0.14
    n-hexanol 0.4
    2-methoxyethanol 69.12
    isobutyl acetate 0.23
    tetrachloromethane 0.02
    n-pentyl acetate 0.36
    transcutol 16.73
    n-heptanol 0.38
    ethylbenzene 0.03
    MIBK 0.47
    2-propoxyethanol 10.38
    tert-butanol 1.34
    MTBE 0.4
    2-butoxyethanol 5.18
    propionic acid 3.0
    o-xylene 0.02
    formic acid 41.18
    diethyl ether 0.31
    m-xylene 0.01
    p-xylene 0.06
    chlorobenzene 0.02
    dimethyl carbonate 1.68
    n-octane 0.01
    formamide 72.21
    cyclopentanone 4.87
    2-pentanone 1.08
    anisole 0.36
    cyclopentyl methyl ether 0.46
    gamma-butyrolactone 6.8
    1-methoxy-2-propanol 22.52
    pyridine 0.55
    3-pentanone 0.74
    furfural 6.89
    n-dodecane 0.01
    diethylene glycol 20.55
    diisopropyl ether 0.06
    tert-amyl alcohol 1.71
    acetylacetone 2.19
    n-hexadecane 0.01
    acetophenone 0.71
    methyl propionate 1.25
    isopentyl acetate 0.37
    trichloroethylene 0.27
    n-nonanol 0.27
    cyclohexanol 0.41
    benzyl alcohol 0.74
    2-ethylhexanol 0.18
    isooctanol 0.3
    dipropyl ether 0.31
    1,2-dichlorobenzene 0.04
    ethyl lactate 2.3
    propylene carbonate 1.58
    n-methylformamide 26.2
    2-pentanol 0.51
    n-pentane 0.01
    1-propoxy-2-propanol 3.87
    1-methoxy-2-propyl acetate 1.23
    2-(2-methoxypropoxy) propanol 6.41
    mesitylene 0.01
    ε-caprolactone 2.21
    p-cymene 0.03
    epichlorohydrin 4.74
    1,1,1-trichloroethane 0.05
    2-aminoethanol 14.57
    morpholine-4-carbaldehyde 38.99
    sulfolane 18.52
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.52
    n-hexyl acetate 0.41
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.15
    sec-butyl acetate 0.35
    tert-butyl acetate 0.43
    decalin 0.01
    glycerin 39.85
    diglyme 16.92
    acrylic acid 4.19
    isopropyl myristate 0.15
    n-butyric acid 2.03
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.45
    ethyl propionate 0.7
    nitromethane 26.93
    1,2-diethoxyethane 1.25
    benzonitrile 0.18
    trioctyl phosphate 0.26
    1-bromopropane 0.06
    gamma-valerolactone 18.74
    n-decanol 0.21
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.27
    propionitrile 0.28
    vinylene carbonate 1.11
    1,1,2-trichlorotrifluoroethane 10.03
    DMS 0.82
    cumene 0.04
    2-octanol 0.22
    2-hexanone 1.24
    octyl acetate 0.28
    limonene 0.04
    1,2-dimethoxyethane 31.07
    ethyl orthosilicate 0.59
    tributyl phosphate 0.35
    diacetone alcohol 3.61
    N,N-dimethylaniline 0.39
    acrylonitrile 0.61
    aniline 0.11
    1,3-propanediol 18.21
    bromobenzene 0.01
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.3
    2-methyl-cyclohexyl acetate 0.39
    tetrabutyl urea 0.94
    diisobutyl methanol 0.11
    2-phenylethanol 0.39
    styrene 0.03
    dioctyl adipate 0.45
    dimethyl sulfate 5.83
    ethyl butyrate 0.5
    methyl lactate 5.42
    butyl lactate 1.31
    diethyl carbonate 0.42
    propanediol butyl ether 4.94
    triethyl orthoformate 0.75
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.16
    morpholine 5.34
    tert-butylamine 0.22
    n-dodecanol 0.15
    dimethoxymethane 12.54
    ethylene carbonate 0.77
    cyrene 9.89
    2-ethoxyethyl acetate 1.27
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.34
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.11
    DEF 4.55
    dimethyl isosorbide 6.11
    tetrachloroethylene 0.19
    eugenol 2.6
    triacetin 1.26
    span 80 2.68
    1,4-butanediol 8.02
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 1.07
    methyl formate 11.28
    2-methyl-1-butanol 1.23
    n-decane 0.01
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.21
    tetrahydropyran 0.54
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 12.09
    1-hexene 0.09
    2-isopropoxyethanol 9.41
    2,2,2-trifluoroethanol 5.83
    methyl butyrate 1.6

    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