Tetronasin

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  • Identifiers

    CAS number
    75139-06-9

    Molecular formula
    C35H54O8

    SMILES
    C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C(=O)C2=C(COC2=O)O)/C=C(\CO)/[C@H]3[C@@H](CC[C@H](O3)/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 40.85%
    Odorless 30.43%
    Floral 25.8%
    Mint 25.65%
    Fresh 21.82%
    Cooling 21.38%
    Fruity 21.09%
    Lactonic 20.99%
    Spicy 20.87%
    Jasmin 20.28%

     

    Flavor
    Bitter 57.63%
    Cedarleaf 21.17%
    Sweet-like 19.45%
    Lovage 19.44%
    Bland 19.28%
    Parsley 19.26%
    Heather 19.24%
    Broom 19.23%
    Leaves 19.21%
    Ripe apricot 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    5.49 (weak acid)

    Molecular weight
    602.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    483°C

    Flash point

    • 217.52 ˚C est.

  • Synonyms

    • RefChem:932867
    • DTXCID101748256
    • ICI139603
    • 3-hydroxy-4-((2S)-2-((1S,2S,6R)-2-((E)-3-hydroxy-2-((2R,3R,6S)-6-((E,3S)-3-((2R,3S,5R)-5-((1S)-1-methoxyethyl)-3-methyloxolan-2-yl)but-1-enyl)-3-methyloxan-2-yl)prop-1-enyl)-6-methylcyclohexyl)propanoyl)-2H-furan-5-one
    • (3E)-3-((2S)-1-hydroxy-2-((1S,2S,6R)-2-((E)-3-hydroxy-2-((2R,3R,6S)-6-((E,3S)-3-((2R,3S,5R)-5-((1S)-1-methoxyethyl)-3-methyloxolan-2-yl)but-1-enyl)-3-methyloxan-2-yl)prop-1-enyl)-6-methylcyclohexyl)propylidene)oxolane-2,4-dione
    • 75139-06-9
    • ANTIBIOTIC M-139603 FREE ACID
    • BZ5N591H97
    • DTXSID801318446
    • ICI-139603 FREE ACID
    • M-139603 FREE ACID
    • Tetronasin
    • Tetronasina
    • Tetronasine
    • Tetronasinum
    • 75139-06-9

  • Applications

    Tetronasin (CAS 75139-06-9) is a polyether ionophore antibiotic used primarily as a veterinary feed additive in ruminant nutrition to alter rumen microbial populations and improve feed efficiency and weight gain; it is typically regulated as a controlled veterinary feed additive in many regions, subject to local regulations and quality-control considerations for feed manufacturing. In addition, tetronasin is studied in research settings to understand ionophore mechanisms and their effects on microbiology, and is considered as a specialized component in fermentation-related research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.69
    methanol 23.42
    isopropanol 17.12
    water 0.03
    ethyl acetate 44.09
    n-propanol 43.96
    acetone 38.3
    n-butanol 42.84
    acetonitrile 11.83
    DMF 59.48
    toluene 26.68
    isobutanol 24.15
    1,4-dioxane 57.66
    methyl acetate 34.47
    THF 135.45
    2-butanone 61.51
    n-pentanol 28.8
    sec-butanol 25.87
    n-hexane 0.9
    ethylene glycol 2.97
    NMP 172.01
    cyclohexane 1.61
    DMSO 58.1
    n-butyl acetate 19.04
    n-octanol 10.63
    chloroform 169.86
    n-propyl acetate 21.58
    acetic acid 87.71
    dichloromethane 126.43
    cyclohexanone 105.13
    propylene glycol 9.28
    isopropyl acetate 25.08
    DMAc 146.96
    2-ethoxyethanol 56.57
    isopentanol 24.45
    n-heptane 0.66
    ethyl formate 25.06
    1,2-dichloroethane 62.01
    n-hexanol 18.83
    2-methoxyethanol 73.14
    isobutyl acetate 13.27
    tetrachloromethane 18.58
    n-pentyl acetate 26.95
    transcutol 90.02
    n-heptanol 14.7
    ethylbenzene 9.48
    MIBK 24.48
    2-propoxyethanol 63.69
    tert-butanol 12.26
    MTBE 16.3
    2-butoxyethanol 48.2
    propionic acid 41.04
    o-xylene 14.23
    formic acid 23.77
    diethyl ether 26.39
    m-xylene 13.24
    p-xylene 9.11
    chlorobenzene 33.93
    dimethyl carbonate 25.07
    n-octane 0.3
    formamide 26.68
    cyclopentanone 115.53
    2-pentanone 51.34
    anisole 21.26
    cyclopentyl methyl ether 50.27
    gamma-butyrolactone 113.34
    1-methoxy-2-propanol 66.69
    pyridine 69.17
    3-pentanone 45.59
    furfural 81.01
    n-dodecane 0.21
    diethylene glycol 27.61
    diisopropyl ether 4.91
    tert-amyl alcohol 19.29
    acetylacetone 47.17
    n-hexadecane 0.26
    acetophenone 30.48
    methyl propionate 49.24
    isopentyl acetate 19.32
    trichloroethylene 149.45
    n-nonanol 11.57
    cyclohexanol 33.13
    benzyl alcohol 29.31
    2-ethylhexanol 9.42
    isooctanol 11.24
    dipropyl ether 10.1
    1,2-dichlorobenzene 30.95
    ethyl lactate 18.47
    propylene carbonate 50.69
    n-methylformamide 39.1
    2-pentanol 19.23
    n-pentane 1.25
    1-propoxy-2-propanol 35.63
    1-methoxy-2-propyl acetate 34.31
    2-(2-methoxypropoxy) propanol 32.88
    mesitylene 5.48
    ε-caprolactone 103.63
    p-cymene 4.64
    epichlorohydrin 142.61
    1,1,1-trichloroethane 50.15
    2-aminoethanol 14.85
    morpholine-4-carbaldehyde 114.33
    sulfolane 130.86
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 78.39
    n-hexyl acetate 29.52
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 44.41
    sec-butyl acetate 15.72
    tert-butyl acetate 21.94
    decalin 1.12
    glycerin 16.75
    diglyme 73.78
    acrylic acid 39.35
    isopropyl myristate 6.81
    n-butyric acid 76.45
    acetyl acetate 29.6
    di(2-ethylhexyl) phthalate 13.35
    ethyl propionate 22.83
    nitromethane 79.72
    1,2-diethoxyethane 20.7
    benzonitrile 20.59
    trioctyl phosphate 8.71
    1-bromopropane 35.46
    gamma-valerolactone 175.97
    n-decanol 6.43
    triethyl phosphate 10.55
    4-methyl-2-pentanol 9.4
    propionitrile 17.4
    vinylene carbonate 50.44
    1,1,2-trichlorotrifluoroethane 117.31
    DMS 20.44
    cumene 5.64
    2-octanol 7.17
    2-hexanone 29.51
    octyl acetate 12.83
    limonene 7.4
    1,2-dimethoxyethane 49.17
    ethyl orthosilicate 10.37
    tributyl phosphate 8.76
    diacetone alcohol 36.38
    N,N-dimethylaniline 15.5
    acrylonitrile 21.83
    aniline 36.18
    1,3-propanediol 31.73
    bromobenzene 34.58
    dibromomethane 78.62
    1,1,2,2-tetrachloroethane 114.34
    2-methyl-cyclohexyl acetate 19.11
    tetrabutyl urea 13.38
    diisobutyl methanol 3.85
    2-phenylethanol 25.76
    styrene 10.78
    dioctyl adipate 14.66
    dimethyl sulfate 45.8
    ethyl butyrate 17.03
    methyl lactate 35.86
    butyl lactate 25.08
    diethyl carbonate 9.75
    propanediol butyl ether 31.0
    triethyl orthoformate 14.42
    p-tert-butyltoluene 4.02
    methyl 4-tert-butylbenzoate 33.2
    morpholine 97.2
    tert-butylamine 5.46
    n-dodecanol 3.45
    dimethoxymethane 56.49
    ethylene carbonate 41.56
    cyrene 51.52
    2-ethoxyethyl acetate 42.15
    2-ethylhexyl acetate 15.27
    1,2,4-trichlorobenzene 44.85
    4-methylpyridine 57.3
    dibutyl ether 6.4
    2,6-dimethyl-4-heptanol 3.85
    DEF 65.69
    dimethyl isosorbide 48.52
    tetrachloroethylene 73.68
    eugenol 30.85
    triacetin 33.24
    span 80 30.77
    1,4-butanediol 12.55
    1,1-dichloroethane 54.02
    2-methyl-1-pentanol 22.39
    methyl formate 24.9
    2-methyl-1-butanol 31.45
    n-decane 0.53
    butyronitrile 18.2
    3,7-dimethyl-1-octanol 7.94
    1-chlorooctane 4.66
    1-chlorotetradecane 1.15
    n-nonane 0.42
    undecane 0.32
    tert-butylcyclohexane 0.78
    cyclooctane 0.7
    cyclopentanol 40.73
    tetrahydropyran 60.41
    tert-amyl methyl ether 19.84
    2,5,8-trioxanonane 42.2
    1-hexene 5.16
    2-isopropoxyethanol 34.01
    2,2,2-trifluoroethanol 33.31
    methyl butyrate 30.49

    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