Sucrose Octaacetate

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  • Identifiers

    CAS number
    126-14-7

    Molecular formula
    C28H38O19

    SMILES
    CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

  • Odor profile

    Fragrance
    Odorless 74.85%
    Alcoholic 20.96%
    Clean 20.44%
    Winey 19.44%
    Ethereal 19.32%
    Creamy 17.24%
    Sour 16.8%
    Milky 16.71%
    Cooked 14.73%
    Buttery 14.63%

     

    Flavor
    Fruity 62.74%
    Bitter 60.46%
    Mild 36.83%
    Odorless 33.77%
    Tropical 27.44%
    Creamy 23.82%
    Grape 23.8%
    Marshmallow 22.35%
    Dried berry 22.09%
    Sweet-like 21.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    0.45 (strong acid)

    Molecular weight
    678.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    431°C

    Flash point

    • 198.64 ˚C est.

  • Synonyms

    • SUCROSE OCTAACETATE
    • 126-14-7
    • Octaacetylsucrose
    • D-(+)-Sucrose octaacetate
    • FEMA No. 3038
    • Octa-O-acetylsucrose
    • sucrose octa-acetate
    • Sucrose octaacetate [NF]
    • alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate
    • NSC 1695
    • EINECS 204-772-1
    • BRN 0079290
    • Octa-O-acetyl D-(+)-Sucrose
    • DTXSID3042423
    • AI3-00071
    • UNII-07V591057T
    • NSC-1695
    • Sucrose octaacetate (NF)
    • 2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose
    • D-(+)-Saccharose Octaacetate
    • 07V591057T
    • DTXCID1022423
    • SUCROSE OCTAACETATE [MI]
    • SUCROSE OCTAACETATE [FHFI]
    • 5-17-08-00410 (Beilstein Handbook Reference)
    • SUCROSE OCTAACETATE [USP-RS]
    • SUCROSE OCTA-ACETATE [MART.]
    • 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate
    • SUCROSE OCTA-ACETATE [WHO-DD]
    • [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
    • NCGC00160615-01
    • MFCD00006623
    • alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetracetate
    • (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
    • [(2R,3R,4S,5S)-3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate
    • alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate
    • SUCROSE OCTAACETATE (USP-RS)
    • SUCROSE OCTA-ACETATE (MART.)
    • a-D-Glucopyranoside,1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate
    • CAS-126-14-7
    • .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, tetraacetate
    • OctaOacetylsucrose
    • sucrose-octaacetate
    • ((2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-((2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl)oxyoxan-2-yl)methyl acetate
    • ((2r,3r,4s,5s)-3,4-bis(acetyloxy)-5-((acetyloxy)methyl)-5-(((2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-((acetyloxy)methyl)oxan-2-yl)oxy)oxolan-2-yl)methyl acetate
    • ((2R,3R,4S,5S)-3,4-Bis(acetyloxy)-5-((acetyloxy)methyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-((acetyloxy)methyl)oxan-2-yl)oxy)oxolan-2-yl)methyl acetic acid
    • [(2R,3R,4S,5S)-3,4-Bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetic acid
    • D(+)Sucrose octaacetate
    • SUCROSE octaacetic acid
    • SCHEMBL48906
    • Sucrose octaacetate (Standard)
    • CHEMBL2105790
    • CHEBI:180783
    • Octa-O-acetyl D-(+)-Saccharose
    • SUCROSE OCTAACETATE [INCI]
    • Sucrose octaacetate, >=97%, FG
    • D-(+)-Sucrose octaacetate, 98%
    • Tox21_111938
    • Tox21_300386
    • AKOS015895274
    • Tox21_111938_1
    • HY-119309R
    • OS03658
    • 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyrano- side tetraacetate
    • NCGC00160615-02
    • NCGC00160615-03
    • NCGC00254310-01
    • BS-15102
    • HY-119309
    • CS-0066987
    • NS00014139
    • S0052
    • 2,3,4,6,1',3',4',6'OctaOacetylsucrose
    • D-Saccharose octaacetate;Octa-O-acetylsucrose
    • D-(+)-Sucrose octaacetate, analytical standard
    • D05935
    • F20296
    • SBI-0654056.0001
    • Q410482
    • SR-01000883711
    • SR-01000883711-1
    • BRD-K01294196-001-01-5
    • 1,3,4,6TetraOacetylbetaDfructofuranosylalphaDglucopyranoside tetraacetate
    • alphaDGlucopyranoside, 1,3,4,6tetraOacetylbetaDfructofuranosyl, tetraacetate
    • alphaDGlucopyranoside, 1,3,4,6tetraOacetylbetaDfructofuranosyl, tetracetate
    • Sucrose octaacetate, United States Pharmacopeia (USP) Reference Standard
    • 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyrano-side tetraacetate
    • alphaDGlucopyranoside, 1,3,4,6tetraOacetylbetaDfructofuranosyl, 2,3,4,6tetraacetate
    • 204-772-1

  • Applications

    Sucrose octaacetate (CAS 126-14-7) is a fully acetylated sucrose ester with an intensely bitter taste, widely employed as a bitterant and aversive agent in anti-nail-biting lacquers, inks, consumer electronics and children’s products, as an industrial alcohol denaturant, a feed additive to deter pecking or chewing in livestock, a pharmaceutical tool for bitterness-threshold testing and smoking-cessation aids, a biological research deterrent in insect feeding studies, a chiral stationary phase in gas chromatography, and also functions as a synthetic intermediate, plasticizer additive and flavor modulator in chewing gum or prototype beverages thanks to its thermal stability, low toxicity and good biodegradability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.84
    methanol 159.99
    isopropanol 60.93
    water 2.33
    ethyl acetate 172.12
    n-propanol 71.83
    acetone 358.8
    n-butanol 43.63
    acetonitrile 141.22
    DMF 904.37
    toluene 15.91
    isobutanol 38.92
    1,4-dioxane 268.7
    methyl acetate 288.4
    THF 471.52
    2-butanone 235.46
    n-pentanol 30.89
    sec-butanol 52.46
    n-hexane 1.73
    ethylene glycol 39.15
    NMP 1346.44
    cyclohexane 2.12
    DMSO 1534.97
    n-butyl acetate 75.34
    n-octanol 14.25
    chloroform 246.96
    n-propyl acetate 114.17
    acetic acid 584.81
    dichloromethane 317.09
    cyclohexanone 254.82
    propylene glycol 50.25
    isopropyl acetate 81.21
    DMAc 1441.61
    2-ethoxyethanol 225.53
    isopentanol 25.37
    n-heptane 0.9
    ethyl formate 219.17
    1,2-dichloroethane 180.89
    n-hexanol 12.13
    2-methoxyethanol 381.97
    isobutyl acetate 46.83
    tetrachloromethane 25.4
    n-pentyl acetate 46.71
    transcutol 264.66
    n-heptanol 10.24
    ethylbenzene 9.19
    MIBK 39.14
    2-propoxyethanol 132.69
    tert-butanol 45.8
    MTBE 46.8
    2-butoxyethanol 84.15
    propionic acid 207.11
    o-xylene 10.56
    formic acid 354.89
    diethyl ether 63.37
    m-xylene 5.62
    p-xylene 14.11
    chlorobenzene 44.49
    dimethyl carbonate 182.95
    n-octane 0.55
    formamide 481.11
    cyclopentanone 446.1
    2-pentanone 116.21
    anisole 57.36
    cyclopentyl methyl ether 77.47
    gamma-butyrolactone 790.92
    1-methoxy-2-propanol 177.73
    pyridine 219.0
    3-pentanone 102.09
    furfural 616.59
    n-dodecane 0.58
    diethylene glycol 101.98
    diisopropyl ether 8.24
    tert-amyl alcohol 43.74
    acetylacetone 222.62
    n-hexadecane 0.65
    acetophenone 90.28
    methyl propionate 191.54
    isopentyl acetate 51.03
    trichloroethylene 385.5
    n-nonanol 14.89
    cyclohexanol 35.03
    benzyl alcohol 51.09
    2-ethylhexanol 8.26
    isooctanol 7.61
    dipropyl ether 27.67
    1,2-dichlorobenzene 46.67
    ethyl lactate 84.21
    propylene carbonate 348.98
    n-methylformamide 456.22
    2-pentanol 20.15
    n-pentane 1.55
    1-propoxy-2-propanol 79.49
    1-methoxy-2-propyl acetate 104.19
    2-(2-methoxypropoxy) propanol 104.06
    mesitylene 2.65
    ε-caprolactone 322.65
    p-cymene 4.46
    epichlorohydrin 574.25
    1,1,1-trichloroethane 118.79
    2-aminoethanol 74.48
    morpholine-4-carbaldehyde 864.79
    sulfolane 1212.39
    2,2,4-trimethylpentane 0.77
    2-methyltetrahydrofuran 210.43
    n-hexyl acetate 60.14
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 123.63
    sec-butyl acetate 57.06
    tert-butyl acetate 56.53
    decalin 1.27
    glycerin 119.97
    diglyme 297.04
    acrylic acid 244.89
    isopropyl myristate 18.42
    n-butyric acid 174.87
    acetyl acetate 152.5
    di(2-ethylhexyl) phthalate 28.11
    ethyl propionate 112.66
    nitromethane 1332.55
    1,2-diethoxyethane 80.31
    benzonitrile 52.2
    trioctyl phosphate 17.83
    1-bromopropane 55.6
    gamma-valerolactone 907.07
    n-decanol 10.14
    triethyl phosphate 55.85
    4-methyl-2-pentanol 7.2
    propionitrile 72.9
    vinylene carbonate 329.28
    1,1,2-trichlorotrifluoroethane 509.71
    DMS 86.8
    cumene 5.51
    2-octanol 7.09
    2-hexanone 88.21
    octyl acetate 33.14
    limonene 6.83
    1,2-dimethoxyethane 406.71
    ethyl orthosilicate 40.87
    tributyl phosphate 30.7
    diacetone alcohol 82.04
    N,N-dimethylaniline 36.76
    acrylonitrile 127.32
    aniline 48.12
    1,3-propanediol 108.82
    bromobenzene 36.18
    dibromomethane 141.36
    1,1,2,2-tetrachloroethane 269.3
    2-methyl-cyclohexyl acetate 47.56
    tetrabutyl urea 48.36
    diisobutyl methanol 3.68
    2-phenylethanol 26.04
    styrene 13.1
    dioctyl adipate 52.44
    dimethyl sulfate 499.07
    ethyl butyrate 73.9
    methyl lactate 149.08
    butyl lactate 48.22
    diethyl carbonate 66.87
    propanediol butyl ether 61.07
    triethyl orthoformate 63.26
    p-tert-butyltoluene 3.76
    methyl 4-tert-butylbenzoate 62.38
    morpholine 335.45
    tert-butylamine 15.53
    n-dodecanol 7.05
    dimethoxymethane 326.52
    ethylene carbonate 240.77
    cyrene 172.02
    2-ethoxyethyl acetate 100.46
    2-ethylhexyl acetate 37.76
    1,2,4-trichlorobenzene 75.83
    4-methylpyridine 172.1
    dibutyl ether 24.6
    2,6-dimethyl-4-heptanol 3.68
    DEF 236.75
    dimethyl isosorbide 168.99
    tetrachloroethylene 143.6
    eugenol 53.12
    triacetin 121.97
    span 80 62.7
    1,4-butanediol 41.11
    1,1-dichloroethane 129.83
    2-methyl-1-pentanol 22.16
    methyl formate 434.21
    2-methyl-1-butanol 31.69
    n-decane 1.03
    butyronitrile 57.94
    3,7-dimethyl-1-octanol 9.21
    1-chlorooctane 7.49
    1-chlorotetradecane 2.94
    n-nonane 0.86
    undecane 0.75
    tert-butylcyclohexane 0.83
    cyclooctane 0.49
    cyclopentanol 74.54
    tetrahydropyran 130.02
    tert-amyl methyl ether 37.7
    2,5,8-trioxanonane 198.15
    1-hexene 8.38
    2-isopropoxyethanol 110.56
    2,2,2-trifluoroethanol 304.46
    methyl butyrate 157.8

    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