Balanitesin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    212369-13-6

    Molecular formula
    C60H98O29

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)C)C)OC1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.35%
    Sweet 36.46%
    Woody 27.1%
    Cooling 22.01%
    Spicy 19.51%
    Vanilla 19.49%
    Milky 18.9%
    Mint 17.31%
    Warm 17.04%
    Alcoholic 16.76%

     

    Flavor
    Bitter 45.67%
    Sweet 45.12%
    Fatty 38.61%
    Odorless 37.42%
    Sweet-like 29.64%
    Bland 22.85%
    Metallic 21.69%
    Cauliflower 21.56%
    Alkaline 20.89%
    Mentholic 20.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.7

    pKa est.
    3.82 (weak acid)

    Molecular weight
    1283.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3684°C

    Flash point

    • 152.44 ˚C est.

  • Synonyms

    • Balanitesin
    • RefChem:916687
    • 26-O-glucopyranosyl-furost-5-en-3,22,26-triol 3-O-((rhamnopyranosyl-1-2)xylopyranosyl-1-2-xylopyranosyl)xylopyranoside
    • DTXSID501098293
    • 212369-13-6
    • I(2)-D-Glucopyranoside, (3I(2),25R)-3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-[I(2)-D-xylopyranosyl-(1a2)]-O-I(2)-D-xylopyranosyl-(1a2)-I(2)-D-xylopyranosyl)oxy]-22-hydroxyfurost-5-en-26-yl
    • 212369-13-6

  • Applications

    Balanitesin, CAS 212369-13-6, is a specialty chemical with potential applications across several industrial sectors. In organic synthesis it may be used as an intermediate to participate in various routes; in fragrance and cosmetics it can serve as an odorant ingredient and a fixative to help stabilize and extend fragrance performance; as a solvent or co-solvent, it may be employed in formulations for coatings, paints, and cleaning products; in polymers and plastics it can act as a processing aid or plasticizer; and as an additive in inks and coatings formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.0
    methanol 13.5
    isopropanol 0.28
    water 0.32
    ethyl acetate 1.21
    n-propanol 0.6
    acetone 2.18
    n-butanol 0.31
    acetonitrile 1.08
    DMF 32.92
    toluene 0.33
    isobutanol 0.23
    1,4-dioxane 5.87
    methyl acetate 1.59
    THF 7.54
    2-butanone 1.28
    n-pentanol 0.31
    sec-butanol 0.21
    n-hexane 0.01
    ethylene glycol 3.88
    NMP 32.96
    cyclohexane 0.03
    DMSO 37.65
    n-butyl acetate 0.63
    n-octanol 0.66
    chloroform 2.08
    n-propyl acetate 0.71
    acetic acid 19.3
    dichloromethane 2.36
    cyclohexanone 2.4
    propylene glycol 2.43
    isopropyl acetate 0.74
    DMAc 26.4
    2-ethoxyethanol 6.59
    isopentanol 0.19
    n-heptane 0.03
    ethyl formate 1.8
    1,2-dichloroethane 0.93
    n-hexanol 0.27
    2-methoxyethanol 14.48
    isobutyl acetate 0.38
    tetrachloromethane 0.24
    n-pentyl acetate 1.68
    transcutol 16.89
    n-heptanol 0.7
    ethylbenzene 0.15
    MIBK 0.6
    2-propoxyethanol 5.98
    tert-butanol 0.2
    MTBE 0.24
    2-butoxyethanol 6.1
    propionic acid 2.07
    o-xylene 0.27
    formic acid 47.74
    diethyl ether 0.43
    m-xylene 0.28
    p-xylene 0.19
    chlorobenzene 0.43
    dimethyl carbonate 5.71
    n-octane 0.02
    formamide 31.03
    cyclopentanone 5.33
    2-pentanone 0.98
    anisole 0.98
    cyclopentyl methyl ether 1.41
    gamma-butyrolactone 9.86
    1-methoxy-2-propanol 6.2
    pyridine 3.42
    3-pentanone 0.93
    furfural 18.51
    n-dodecane 0.02
    diethylene glycol 9.91
    diisopropyl ether 0.1
    tert-amyl alcohol 0.21
    acetylacetone 4.84
    n-hexadecane 0.02
    acetophenone 1.76
    methyl propionate 2.19
    isopentyl acetate 0.52
    trichloroethylene 3.64
    n-nonanol 0.7
    cyclohexanol 0.3
    benzyl alcohol 1.27
    2-ethylhexanol 0.17
    isooctanol 0.43
    dipropyl ether 0.51
    1,2-dichlorobenzene 0.57
    ethyl lactate 1.95
    propylene carbonate 3.68
    n-methylformamide 14.05
    2-pentanol 0.14
    n-pentane 0.01
    1-propoxy-2-propanol 3.19
    1-methoxy-2-propyl acetate 3.15
    2-(2-methoxypropoxy) propanol 4.86
    mesitylene 0.15
    ε-caprolactone 3.13
    p-cymene 0.16
    epichlorohydrin 7.99
    1,1,1-trichloroethane 0.45
    2-aminoethanol 3.48
    morpholine-4-carbaldehyde 41.45
    sulfolane 28.17
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.19
    n-hexyl acetate 1.62
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.55
    sec-butyl acetate 0.38
    tert-butyl acetate 0.82
    decalin 0.02
    glycerin 12.99
    diglyme 17.1
    acrylic acid 6.15
    isopropyl myristate 0.37
    n-butyric acid 1.68
    acetyl acetate 2.37
    di(2-ethylhexyl) phthalate 1.07
    ethyl propionate 0.77
    nitromethane 36.54
    1,2-diethoxyethane 2.0
    benzonitrile 1.07
    trioctyl phosphate 0.63
    1-bromopropane 0.2
    gamma-valerolactone 25.65
    n-decanol 0.39
    triethyl phosphate 0.69
    4-methyl-2-pentanol 0.11
    propionitrile 0.51
    vinylene carbonate 5.7
    1,1,2-trichlorotrifluoroethane 25.21
    DMS 2.32
    cumene 0.11
    2-octanol 0.35
    2-hexanone 0.62
    octyl acetate 0.81
    limonene 0.19
    1,2-dimethoxyethane 7.35
    ethyl orthosilicate 0.6
    tributyl phosphate 0.51
    diacetone alcohol 2.34
    N,N-dimethylaniline 0.86
    acrylonitrile 1.76
    aniline 0.78
    1,3-propanediol 2.62
    bromobenzene 0.38
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 2.27
    2-methyl-cyclohexyl acetate 0.66
    tetrabutyl urea 1.06
    diisobutyl methanol 0.12
    2-phenylethanol 1.11
    styrene 0.19
    dioctyl adipate 1.16
    dimethyl sulfate 15.71
    ethyl butyrate 0.7
    methyl lactate 6.74
    butyl lactate 2.71
    diethyl carbonate 0.52
    propanediol butyl ether 6.93
    triethyl orthoformate 0.95
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 3.81
    morpholine 5.74
    tert-butylamine 0.06
    n-dodecanol 0.22
    dimethoxymethane 14.39
    ethylene carbonate 2.9
    cyrene 10.63
    2-ethoxyethyl acetate 5.51
    2-ethylhexyl acetate 0.43
    1,2,4-trichlorobenzene 0.94
    4-methylpyridine 1.81
    dibutyl ether 0.35
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.2
    dimethyl isosorbide 9.8
    tetrachloroethylene 1.84
    eugenol 4.69
    triacetin 5.7
    span 80 4.68
    1,4-butanediol 1.32
    1,1-dichloroethane 0.4
    2-methyl-1-pentanol 0.18
    methyl formate 14.3
    2-methyl-1-butanol 0.2
    n-decane 0.04
    butyronitrile 0.34
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.56
    tetrahydropyran 1.0
    tert-amyl methyl ether 0.29
    2,5,8-trioxanonane 10.97
    1-hexene 0.04
    2-isopropoxyethanol 2.51
    2,2,2-trifluoroethanol 9.83
    methyl butyrate 0.96

    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