• Identifiers

    Molecular formula
    C36H58O29P2

    SMILES
    CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)OP)O)O)CO)CP)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C6C(O5)COC(O6)(C)C(=O)O)O)O)O)O)O)O

  • Odor profile

    Fragrance
    Odorless 82.07%
    Sweet 26.25%
    Savory 20.89%
    Alcoholic 18.51%
    Milky 17.62%
    Cooling 16.66%
    Caramellic 15.1%
    Clean 14.68%
    Buttery 13.58%
    Bitter 13.54%

     

    Flavor
    Bitter 52.77%
    Sweet 49.06%
    Odorless 47.46%
    Sweet-like 32.08%
    Fatty 30.0%
    Bland 25.53%
    Very mild 23.23%
    Cauliflower 21.87%
    Very slight 21.33%
    Alkaline 20.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -9.5

    pKa est.
    1.97 (strong acid)

    Molecular weight
    1016.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    5068°C

    Flash point

    • 232.14 ˚C est.

  • Synonyms

    • Biozan R
    • E415
    • SCHEMBL23243659
  • Applications

    Biozan R may be used as a solvent and an intermediate in industrial manufacturing; as a stabilizer, plasticizer, or processing aid in polymers and coatings/inks; as a fragrance fixative or carrier in cosmetic and perfumery formulations; as a component in cleaning and household products; and may be considered a functional additive or carrier in specialty formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.03
    methanol 17.33
    isopropanol 0.66
    water 2.96
    ethyl acetate 1.13
    n-propanol 1.25
    acetone 1.85
    n-butanol 0.8
    acetonitrile 0.76
    DMF 49.01
    toluene 0.3
    isobutanol 0.42
    1,4-dioxane 4.65
    methyl acetate 1.41
    THF 4.87
    2-butanone 1.32
    n-pentanol 0.44
    sec-butanol 0.56
    n-hexane 0.02
    ethylene glycol 11.67
    NMP 40.72
    cyclohexane 0.05
    DMSO 41.55
    n-butyl acetate 0.34
    n-octanol 0.57
    chloroform 0.78
    n-propyl acetate 0.39
    acetic acid 11.45
    dichloromethane 1.27
    cyclohexanone 2.14
    propylene glycol 7.38
    isopropyl acetate 0.53
    DMAc 33.44
    2-ethoxyethanol 7.64
    isopentanol 0.33
    n-heptane 0.05
    ethyl formate 1.68
    1,2-dichloroethane 0.78
    n-hexanol 0.27
    2-methoxyethanol 26.55
    isobutyl acetate 0.14
    tetrachloromethane 0.13
    n-pentyl acetate 0.72
    transcutol 12.58
    n-heptanol 0.62
    ethylbenzene 0.09
    MIBK 0.41
    2-propoxyethanol 4.8
    tert-butanol 0.37
    MTBE 0.25
    2-butoxyethanol 4.56
    propionic acid 2.53
    o-xylene 0.26
    formic acid 50.94
    diethyl ether 0.6
    m-xylene 0.19
    p-xylene 0.09
    chlorobenzene 0.18
    dimethyl carbonate 4.86
    n-octane 0.04
    formamide 39.15
    cyclopentanone 3.98
    2-pentanone 1.12
    anisole 0.4
    cyclopentyl methyl ether 1.42
    gamma-butyrolactone 6.68
    1-methoxy-2-propanol 12.25
    pyridine 2.18
    3-pentanone 1.05
    furfural 9.97
    n-dodecane 0.02
    diethylene glycol 11.46
    diisopropyl ether 0.1
    tert-amyl alcohol 0.39
    acetylacetone 2.87
    n-hexadecane 0.03
    acetophenone 0.73
    methyl propionate 2.44
    isopentyl acetate 0.2
    trichloroethylene 1.64
    n-nonanol 0.56
    cyclohexanol 0.65
    benzyl alcohol 0.77
    2-ethylhexanol 0.15
    isooctanol 0.33
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.21
    ethyl lactate 1.49
    propylene carbonate 1.95
    n-methylformamide 18.47
    2-pentanol 0.36
    n-pentane 0.03
    1-propoxy-2-propanol 2.69
    1-methoxy-2-propyl acetate 1.68
    2-(2-methoxypropoxy) propanol 2.97
    mesitylene 0.12
    ε-caprolactone 2.52
    p-cymene 0.09
    epichlorohydrin 4.21
    1,1,1-trichloroethane 0.18
    2-aminoethanol 8.24
    morpholine-4-carbaldehyde 38.35
    sulfolane 19.17
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.17
    n-hexyl acetate 0.69
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.29
    sec-butyl acetate 0.2
    tert-butyl acetate 0.44
    decalin 0.01
    glycerin 33.15
    diglyme 11.19
    acrylic acid 5.93
    isopropyl myristate 0.2
    n-butyric acid 2.13
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 0.44
    ethyl propionate 0.54
    nitromethane 17.15
    1,2-diethoxyethane 1.42
    benzonitrile 0.37
    trioctyl phosphate 0.36
    1-bromopropane 0.2
    gamma-valerolactone 17.74
    n-decanol 0.36
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.15
    propionitrile 0.46
    vinylene carbonate 2.58
    1,1,2-trichlorotrifluoroethane 13.87
    DMS 1.14
    cumene 0.05
    2-octanol 0.35
    2-hexanone 0.39
    octyl acetate 0.43
    limonene 0.15
    1,2-dimethoxyethane 6.33
    ethyl orthosilicate 0.34
    tributyl phosphate 0.27
    diacetone alcohol 2.09
    N,N-dimethylaniline 0.52
    acrylonitrile 1.23
    aniline 0.78
    1,3-propanediol 7.2
    bromobenzene 0.14
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 1.44
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.78
    diisobutyl methanol 0.1
    2-phenylethanol 0.48
    styrene 0.1
    dioctyl adipate 0.5
    dimethyl sulfate 13.91
    ethyl butyrate 0.43
    methyl lactate 8.91
    butyl lactate 1.64
    diethyl carbonate 0.25
    propanediol butyl ether 5.82
    triethyl orthoformate 0.57
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.72
    morpholine 6.45
    tert-butylamine 0.11
    n-dodecanol 0.23
    dimethoxymethane 17.29
    ethylene carbonate 1.56
    cyrene 6.44
    2-ethoxyethyl acetate 2.09
    2-ethylhexyl acetate 0.17
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 1.23
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.1
    DEF 4.86
    dimethyl isosorbide 4.39
    tetrachloroethylene 1.13
    eugenol 2.06
    triacetin 2.0
    span 80 3.1
    1,4-butanediol 2.68
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.21
    methyl formate 13.8
    2-methyl-1-butanol 0.4
    n-decane 0.05
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 1.06
    tetrahydropyran 1.16
    tert-amyl methyl ether 0.37
    2,5,8-trioxanonane 7.8
    1-hexene 0.04
    2-isopropoxyethanol 2.38
    2,2,2-trifluoroethanol 7.8
    methyl butyrate 0.74

    Scent© AI

1 of 4
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