alpha-Avoparcin

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  • Identifiers

    CAS number
    73957-86-5

    Molecular formula
    C89H102ClN9O36

    SMILES
    C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C[C@H]7C(=O)N[C@H](C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C1=CC=C(O4)C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)NC(=O)[C@H](C1=CC=C(C=C1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)C1=CC=C(C=C1)O)O)C(=O)O)C(=C6)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)Cl)CO)O)O)N)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.69%
    Savory 25.23%
    Milky 19.73%
    Vanilla 19.36%
    Bitter 19.18%
    Sweet 17.92%
    Cooling 17.07%
    Burnt 15.79%
    Meaty 14.48%
    Cooked 14.46%

     

    Flavor
    Bitter 87.64%
    Odorless 32.46%
    Bland 30.02%
    Sweet-like 24.76%
    Cedarleaf 20.13%
    Nitrile 18.73%
    Lovage 18.44%
    Parsley 18.4%
    Alkaline 18.13%
    Scallion 17.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.1

    pKa est.
    17.12 (strong base)

    Molecular weight
    1909.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    4073°C

    Flash point

    • 108.32 ˚C est.

  • Synonyms

    • Avoparcin-alpha
    • Avoparcin alpha
    • 73957-86-5
    • I4J49AU691
    • DTXSID001016501
    • alpha-Avoparcin
    • RefChem:915485
    • DTXCID001474690
    • 277-650-9
    • (1S,2R,18R,19R,22S,25R,28R,40S)-2-((2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-48-((2S,4S,5S,6R)-3-((2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-chloro-18,32,35,37-tetrahydroxy-22-(4-hydroxyphenyl)-19-(((2R)-2-(methylamino)-2-(4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl)acetyl)amino)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
    • UNII-I4J49AU691
    • EINECS 277-650-9
    • .ALPHA.-AVOPARCIN
    • AVOPARCIN-.ALPHA.
    • SCHEMBL9625213
    • .ALPHA.-AVOPARCIN [MI]
    • NS00066758
    • 73957-86-5

  • Applications

    alpha-Avoparcin (CAS 73957-86-5) is a glycopeptide antibiotic historically used in agriculture as a veterinary antimicrobial growth promoter in animal feeds, contributing to livestock production efficiency. In the pharmaceutical and biotech context, it is related to the glycopeptide class and may be encountered as a reference compound or intermediate in the development, analysis, and fermentation workflows of similar antibiotics. Its use is subject to stringent regulatory controls in many regions due to antimicrobial resistance concerns, and its deployment is often restricted, withdrawn, or tightly managed. In research settings, it can serve as a benchmark for analytical methods and process development for related glycopeptides, and in some cases may act as a starting material in synthesis workflows for related compounds, depending on licensing and regional guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.48
    methanol 8.25
    isopropanol 1.45
    water 0.34
    ethyl acetate 0.97
    n-propanol 1.8
    acetone 3.33
    n-butanol 0.95
    acetonitrile 0.79
    DMF 33.82
    toluene 0.18
    isobutanol 0.66
    1,4-dioxane 4.29
    methyl acetate 1.95
    THF 8.33
    2-butanone 2.34
    n-pentanol 0.61
    sec-butanol 0.91
    n-hexane 0.01
    ethylene glycol 9.97
    NMP 27.35
    cyclohexane 0.02
    DMSO 32.53
    n-butyl acetate 0.44
    n-octanol 0.47
    chloroform 0.55
    n-propyl acetate 0.64
    acetic acid 22.42
    dichloromethane 0.6
    cyclohexanone 2.2
    propylene glycol 10.74
    isopropyl acetate 0.57
    DMAc 28.14
    2-ethoxyethanol 9.47
    isopentanol 0.43
    n-heptane 0.03
    ethyl formate 2.0
    1,2-dichloroethane 0.41
    n-hexanol 0.29
    2-methoxyethanol 23.87
    isobutyl acetate 0.23
    tetrachloromethane 0.1
    n-pentyl acetate 0.88
    transcutol 11.1
    n-heptanol 0.58
    ethylbenzene 0.06
    MIBK 0.46
    2-propoxyethanol 5.02
    tert-butanol 0.68
    MTBE 0.28
    2-butoxyethanol 4.95
    propionic acid 3.65
    o-xylene 0.12
    formic acid 34.3
    diethyl ether 0.51
    m-xylene 0.1
    p-xylene 0.08
    chlorobenzene 0.13
    dimethyl carbonate 3.54
    n-octane 0.02
    formamide 22.92
    cyclopentanone 5.96
    2-pentanone 1.38
    anisole 0.37
    cyclopentyl methyl ether 0.98
    gamma-butyrolactone 8.24
    1-methoxy-2-propanol 12.44
    pyridine 2.32
    3-pentanone 0.98
    furfural 9.75
    n-dodecane 0.01
    diethylene glycol 10.62
    diisopropyl ether 0.08
    tert-amyl alcohol 0.55
    acetylacetone 3.2
    n-hexadecane 0.01
    acetophenone 0.76
    methyl propionate 1.97
    isopentyl acetate 0.29
    trichloroethylene 1.06
    n-nonanol 0.47
    cyclohexanol 0.54
    benzyl alcohol 0.91
    2-ethylhexanol 0.14
    isooctanol 0.32
    dipropyl ether 0.41
    1,2-dichlorobenzene 0.11
    ethyl lactate 1.91
    propylene carbonate 2.32
    n-methylformamide 14.76
    2-pentanol 0.45
    n-pentane 0.02
    1-propoxy-2-propanol 3.13
    1-methoxy-2-propyl acetate 1.61
    2-(2-methoxypropoxy) propanol 3.05
    mesitylene 0.05
    ε-caprolactone 2.67
    p-cymene 0.05
    epichlorohydrin 4.39
    1,1,1-trichloroethane 0.17
    2-aminoethanol 7.69
    morpholine-4-carbaldehyde 27.73
    sulfolane 18.98
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.5
    n-hexyl acetate 0.76
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.3
    sec-butyl acetate 0.29
    tert-butyl acetate 0.46
    decalin 0.01
    glycerin 34.74
    diglyme 10.39
    acrylic acid 7.31
    isopropyl myristate 0.19
    n-butyric acid 2.62
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 0.37
    ethyl propionate 0.59
    nitromethane 23.92
    1,2-diethoxyethane 1.33
    benzonitrile 0.41
    trioctyl phosphate 0.32
    1-bromopropane 0.16
    gamma-valerolactone 21.48
    n-decanol 0.29
    triethyl phosphate 0.31
    4-methyl-2-pentanol 0.17
    propionitrile 0.56
    vinylene carbonate 2.51
    1,1,2-trichlorotrifluoroethane 15.96
    DMS 1.08
    cumene 0.04
    2-octanol 0.32
    2-hexanone 0.71
    octyl acetate 0.41
    limonene 0.07
    1,2-dimethoxyethane 7.96
    ethyl orthosilicate 0.28
    tributyl phosphate 0.26
    diacetone alcohol 2.46
    N,N-dimethylaniline 0.34
    acrylonitrile 1.39
    aniline 0.66
    1,3-propanediol 8.34
    bromobenzene 0.08
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 0.98
    2-methyl-cyclohexyl acetate 0.26
    tetrabutyl urea 0.64
    diisobutyl methanol 0.08
    2-phenylethanol 0.49
    styrene 0.08
    dioctyl adipate 0.5
    dimethyl sulfate 8.43
    ethyl butyrate 0.47
    methyl lactate 7.59
    butyl lactate 1.86
    diethyl carbonate 0.31
    propanediol butyl ether 6.19
    triethyl orthoformate 0.58
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.38
    morpholine 6.23
    tert-butylamine 0.15
    n-dodecanol 0.18
    dimethoxymethane 11.15
    ethylene carbonate 1.57
    cyrene 5.78
    2-ethoxyethyl acetate 2.4
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.22
    4-methylpyridine 1.24
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.08
    DEF 3.16
    dimethyl isosorbide 3.51
    tetrachloroethylene 0.65
    eugenol 1.86
    triacetin 2.11
    span 80 2.98
    1,4-butanediol 3.18
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.28
    methyl formate 11.92
    2-methyl-1-butanol 0.48
    n-decane 0.03
    butyronitrile 0.44
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.41
    tetrahydropyran 1.12
    tert-amyl methyl ether 0.3
    2,5,8-trioxanonane 6.64
    1-hexene 0.05
    2-isopropoxyethanol 3.27
    2,2,2-trifluoroethanol 8.78
    methyl butyrate 0.99

    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