Oligomycin A, 28-oxo-

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  • Identifiers

    CAS number
    11050-94-5

    Molecular formula
    C45H72O12

    SMILES
    CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)C(=O)C[C@H]([C@H](O3)C[C@H](C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 32.49%
    Spicy 32.27%
    Woody 29.35%
    Sweet 27.03%
    Caramellic 26.14%
    Floral 24.03%
    Lactonic 23.47%
    Vanilla 23.16%
    Mint 22.69%
    Burnt 21.92%

     

    Flavor
    Bitter 53.79%
    Minty 35.12%
    Spice 22.17%
    Sweet 21.28%
    Leaves 20.75%
    Cedarleaf 20.72%
    Cotton candy 20.25%
    Fenugreek 20.25%
    Herbal 20.17%
    Seedy 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.35 (neutral)

    Molecular weight
    805.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    2440°C

    Flash point

    • 172.47 ˚C est.

  • Synonyms

    • Oligomycin B
    • 11050-94-5
    • Oligomycin A, 28-oxo-
    • EINECS 234-275-5
    • AC1NQZ9F
    • SCHEMBL454546
    • QPRQJOHKNJIMGN-UXAQBZNTSA-N
    • (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25S,26R,27R,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-3',13,17,23-tetrone
    • HY-N6784
    • MFCD00043232
    • AKOS030213261
    • AO65695
    • CS-0058995
    • Q27107576

  • Applications

    Oligomycin A, 28-oxo-, CAS number: 11050-94-5 is a macrolide antibiotic primarily used as a biochemical tool to inhibit mitochondrial ATP synthase (F0F1-ATPase), enabling the study of oxidative phosphorylation and cellular energy metabolism. In pharmaceutical and life sciences research, it is used to investigate mitochondrial dysfunction, ATP biosynthesis, and related metabolic pathways in cells. In in vitro assays, oligomycin A is used to inhibit ATP production, enabling examination of metabolic flux, enzyme activities, and the role of ATP synthesis in mitochondrial preparations or permeabilized cells. As a natural product antibiotic, it provides utility in antibiotic discovery research and in experiments requiring selective inhibition of ATP synthase in microbial systems. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.45
    methanol 104.99
    isopropanol 47.44
    water 0.36
    ethyl acetate 37.82
    n-propanol 75.93
    acetone 57.79
    n-butanol 47.47
    acetonitrile 13.75
    DMF 157.33
    toluene 17.62
    isobutanol 40.68
    1,4-dioxane 106.45
    methyl acetate 43.77
    THF 224.01
    2-butanone 62.75
    n-pentanol 43.82
    sec-butanol 43.14
    n-hexane 1.35
    ethylene glycol 29.02
    NMP 279.64
    cyclohexane 1.95
    DMSO 216.56
    n-butyl acetate 21.06
    n-octanol 14.27
    chloroform 46.67
    n-propyl acetate 23.01
    acetic acid 238.25
    dichloromethane 42.71
    cyclohexanone 105.03
    propylene glycol 57.44
    isopropyl acetate 25.27
    DMAc 205.25
    2-ethoxyethanol 94.79
    isopentanol 26.42
    n-heptane 1.07
    ethyl formate 36.05
    1,2-dichloroethane 30.49
    n-hexanol 25.48
    2-methoxyethanol 139.29
    isobutyl acetate 13.87
    tetrachloromethane 10.22
    n-pentyl acetate 27.57
    transcutol 98.05
    n-heptanol 19.09
    ethylbenzene 7.64
    MIBK 22.99
    2-propoxyethanol 87.19
    tert-butanol 29.67
    MTBE 18.43
    2-butoxyethanol 58.22
    propionic acid 85.56
    o-xylene 12.0
    formic acid 113.77
    diethyl ether 25.81
    m-xylene 10.84
    p-xylene 8.44
    chlorobenzene 17.9
    dimethyl carbonate 43.66
    n-octane 0.62
    formamide 89.79
    cyclopentanone 145.9
    2-pentanone 45.86
    anisole 18.04
    cyclopentyl methyl ether 56.58
    gamma-butyrolactone 176.46
    1-methoxy-2-propanol 109.17
    pyridine 68.55
    3-pentanone 37.26
    furfural 104.27
    n-dodecane 0.42
    diethylene glycol 72.52
    diisopropyl ether 5.76
    tert-amyl alcohol 32.06
    acetylacetone 58.02
    n-hexadecane 0.48
    acetophenone 29.43
    methyl propionate 51.17
    isopentyl acetate 18.42
    trichloroethylene 57.33
    n-nonanol 14.3
    cyclohexanol 42.05
    benzyl alcohol 36.87
    2-ethylhexanol 10.87
    isooctanol 13.18
    dipropyl ether 12.8
    1,2-dichlorobenzene 14.66
    ethyl lactate 26.29
    propylene carbonate 67.25
    n-methylformamide 95.8
    2-pentanol 24.16
    n-pentane 1.8
    1-propoxy-2-propanol 50.47
    1-methoxy-2-propyl acetate 38.17
    2-(2-methoxypropoxy) propanol 36.52
    mesitylene 5.44
    ε-caprolactone 108.13
    p-cymene 4.71
    epichlorohydrin 130.26
    1,1,1-trichloroethane 20.02
    2-aminoethanol 65.07
    morpholine-4-carbaldehyde 202.28
    sulfolane 255.13
    2,2,4-trimethylpentane 1.03
    2-methyltetrahydrofuran 88.82
    n-hexyl acetate 29.44
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 51.87
    sec-butyl acetate 15.41
    tert-butyl acetate 22.95
    decalin 1.31
    glycerin 82.09
    diglyme 75.78
    acrylic acid 96.79
    isopropyl myristate 8.11
    n-butyric acid 81.73
    acetyl acetate 32.75
    di(2-ethylhexyl) phthalate 16.27
    ethyl propionate 20.93
    nitromethane 137.16
    1,2-diethoxyethane 27.46
    benzonitrile 18.87
    trioctyl phosphate 11.89
    1-bromopropane 17.24
    gamma-valerolactone 244.32
    n-decanol 8.7
    triethyl phosphate 11.54
    4-methyl-2-pentanol 11.34
    propionitrile 17.79
    vinylene carbonate 67.6
    1,1,2-trichlorotrifluoroethane 119.27
    DMS 26.38
    cumene 5.12
    2-octanol 10.61
    2-hexanone 30.25
    octyl acetate 14.81
    limonene 7.36
    1,2-dimethoxyethane 74.02
    ethyl orthosilicate 11.11
    tributyl phosphate 10.62
    diacetone alcohol 46.25
    N,N-dimethylaniline 14.96
    acrylonitrile 26.62
    aniline 33.92
    1,3-propanediol 83.08
    bromobenzene 14.64
    dibromomethane 28.89
    1,1,2,2-tetrachloroethane 48.95
    2-methyl-cyclohexyl acetate 18.69
    tetrabutyl urea 16.77
    diisobutyl methanol 5.27
    2-phenylethanol 30.12
    styrene 8.12
    dioctyl adipate 17.03
    dimethyl sulfate 78.4
    ethyl butyrate 16.08
    methyl lactate 64.4
    butyl lactate 30.42
    diethyl carbonate 10.3
    propanediol butyl ether 56.09
    triethyl orthoformate 15.15
    p-tert-butyltoluene 4.62
    methyl 4-tert-butylbenzoate 33.02
    morpholine 147.04
    tert-butylamine 10.91
    n-dodecanol 5.36
    dimethoxymethane 102.89
    ethylene carbonate 56.05
    cyrene 71.65
    2-ethoxyethyl acetate 47.86
    2-ethylhexyl acetate 15.05
    1,2,4-trichlorobenzene 23.34
    4-methylpyridine 49.31
    dibutyl ether 7.78
    2,6-dimethyl-4-heptanol 5.27
    DEF 63.56
    dimethyl isosorbide 54.08
    tetrachloroethylene 38.46
    eugenol 29.83
    triacetin 38.5
    span 80 41.69
    1,4-butanediol 44.68
    1,1-dichloroethane 22.81
    2-methyl-1-pentanol 27.67
    methyl formate 71.44
    2-methyl-1-butanol 34.42
    n-decane 0.9
    butyronitrile 15.52
    3,7-dimethyl-1-octanol 9.68
    1-chlorooctane 5.1
    1-chlorotetradecane 1.57
    n-nonane 0.75
    undecane 0.58
    tert-butylcyclohexane 0.98
    cyclooctane 0.9
    cyclopentanol 70.24
    tetrahydropyran 73.27
    tert-amyl methyl ether 19.41
    2,5,8-trioxanonane 50.12
    1-hexene 5.37
    2-isopropoxyethanol 53.82
    2,2,2-trifluoroethanol 70.25
    methyl butyrate 28.0

    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