wurcs=2.0/2,7,7/[a2222h-1a_1-5][a2122h-1a_1-5]/1-2-2-2-2-2-2/a1-g4_a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C42H70O35

    SMILES
    C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O

  • Odor profile

    Odorless 80.41%
    Sweet 26.9%
    Alcoholic 21.3%
    Caramellic 17.16%
    Clean 15.46%
    Savory 15.25%
    Cooling 14.86%
    Milky 14.1%
    Fishy 13.96%
    Bitter 13.34%

    Scent© AI

  • Properties

    XLogP3-AA
    -15.0

    Molecular weight
    1135.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3996°C

    Flash point est.
    503.73 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.04
    methanol 29.22
    isopropanol 2.64
    water 13.63
    ethyl acetate 2.61
    n-propanol 4.01
    acetone 3.38
    n-butanol 2.4
    acetonitrile 1.64
    DMF 49.48
    toluene 0.95
    isobutanol 1.38
    1,4-dioxane 8.01
    methyl acetate 2.64
    THF 15.49
    2-butanone 2.9
    n-pentanol 1.34
    sec-butanol 1.66
    n-hexane 0.09
    ethylene glycol 17.77
    NMP 65.44
    cyclohexane 0.24
    DMSO 63.73
    n-butyl acetate 1.53
    n-octanol 1.47
    chloroform 1.53
    n-propyl acetate 1.12
    acetic acid 28.63
    dichloromethane 2.05
    cyclohexanone 5.26
    propylene glycol 12.35
    isopropyl acetate 1.39
    DMAc 37.24
    2-ethoxyethanol 13.01
    isopentanol 0.97
    n-heptane 0.25
    ethyl formate 4.38
    1,2-dichloroethane 1.26
    n-hexanol 1.23
    2-methoxyethanol 33.95
    isobutyl acetate 0.43
    tetrachloromethane 0.49
    n-pentyl acetate 2.41
    transcutol 20.97
    n-heptanol 1.93
    ethylbenzene 0.3
    MIBK 0.85
    2-propoxyethanol 11.79
    tert-butanol 1.09
    MTBE 0.62
    2-butoxyethanol 10.49
    propionic acid 7.52
    o-xylene 0.67
    formic acid 91.11
    diethyl ether 1.67
    m-xylene 0.55
    p-xylene 0.28
    chlorobenzene 0.48
    dimethyl carbonate 6.91
    n-octane 0.15
    formamide 74.96
    cyclopentanone 10.08
    2-pentanone 2.53
    anisole 0.78
    cyclopentyl methyl ether 4.3
    gamma-butyrolactone 18.35
    1-methoxy-2-propanol 19.04
    pyridine 6.36
    3-pentanone 2.0
    furfural 19.9
    n-dodecane 0.08
    diethylene glycol 19.55
    diisopropyl ether 0.3
    tert-amyl alcohol 1.05
    acetylacetone 4.2
    n-hexadecane 0.09
    acetophenone 1.59
    methyl propionate 4.73
    isopentyl acetate 0.89
    trichloroethylene 2.5
    n-nonanol 1.43
    cyclohexanol 2.12
    benzyl alcohol 2.04
    2-ethylhexanol 0.62
    isooctanol 0.97
    dipropyl ether 1.54
    1,2-dichlorobenzene 0.45
    ethyl lactate 3.01
    propylene carbonate 6.79
    n-methylformamide 28.73
    2-pentanol 1.12
    n-pentane 0.15
    1-propoxy-2-propanol 7.19
    1-methoxy-2-propyl acetate 4.96
    2-(2-methoxypropoxy) propanol 4.72
    mesitylene 0.29
    ε-caprolactone 7.49
    p-cymene 0.36
    epichlorohydrin 8.52
    1,1,1-trichloroethane 0.41
    2-aminoethanol 16.02
    morpholine-4-carbaldehyde 53.44
    sulfolane 41.01
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.25
    n-hexyl acetate 1.97
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 9.13
    sec-butyl acetate 0.6
    tert-butyl acetate 1.08
    decalin 0.07
    glycerin 36.17
    diglyme 16.5
    acrylic acid 14.53
    isopropyl myristate 0.57
    n-butyric acid 6.27
    acetyl acetate 2.19
    di(2-ethylhexyl) phthalate 0.98
    ethyl propionate 1.25
    nitromethane 25.32
    1,2-diethoxyethane 3.5
    benzonitrile 1.08
    trioctyl phosphate 0.95
    1-bromopropane 0.6
    gamma-valerolactone 31.47
    n-decanol 0.92
    triethyl phosphate 1.12
    4-methyl-2-pentanol 0.41
    propionitrile 1.16
    vinylene carbonate 7.9
    1,1,2-trichlorotrifluoroethane 22.9
    DMS 2.72
    cumene 0.18
    2-octanol 1.0
    2-hexanone 0.93
    octyl acetate 1.19
    limonene 0.55
    1,2-dimethoxyethane 8.78
    ethyl orthosilicate 0.98
    tributyl phosphate 0.79
    diacetone alcohol 3.57
    N,N-dimethylaniline 0.9
    acrylonitrile 2.72
    aniline 2.27
    1,3-propanediol 13.28
    bromobenzene 0.35
    dibromomethane 1.1
    1,1,2,2-tetrachloroethane 1.92
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 1.59
    diisobutyl methanol 0.34
    2-phenylethanol 1.64
    styrene 0.33
    dioctyl adipate 1.27
    dimethyl sulfate 17.74
    ethyl butyrate 1.35
    methyl lactate 13.54
    butyl lactate 4.2
    diethyl carbonate 0.94
    propanediol butyl ether 10.39
    triethyl orthoformate 1.6
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 3.16
    morpholine 14.25
    tert-butylamine 0.43
    n-dodecanol 0.58
    dimethoxymethane 18.82
    ethylene carbonate 4.97
    cyrene 9.5
    2-ethoxyethyl acetate 5.35
    2-ethylhexyl acetate 0.79
    1,2,4-trichlorobenzene 0.68
    4-methylpyridine 3.18
    dibutyl ether 0.92
    2,6-dimethyl-4-heptanol 0.34
    DEF 7.93
    dimethyl isosorbide 9.32
    tetrachloroethylene 2.02
    eugenol 3.51
    triacetin 4.24
    span 80 5.91
    1,4-butanediol 4.91
    1,1-dichloroethane 0.59
    2-methyl-1-pentanol 0.61
    methyl formate 20.23
    2-methyl-1-butanol 1.19
    n-decane 0.17
    butyronitrile 1.07
    3,7-dimethyl-1-octanol 0.58
    1-chlorooctane 0.43
    1-chlorotetradecane 0.15
    n-nonane 0.16
    undecane 0.11
    tert-butylcyclohexane 0.04
    cyclooctane 0.15
    cyclopentanol 3.76
    tetrahydropyran 3.53
    tert-amyl methyl ether 0.9
    2,5,8-trioxanonane 10.6
    1-hexene 0.23
    2-isopropoxyethanol 4.44
    2,2,2-trifluoroethanol 19.14
    methyl butyrate 1.7

    Scent© AI

1 3

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