Escin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6805-41-0

    Molecular formula
    C110H172O48

    SMILES
    C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C.C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 64.17%
    Cooling 28.78%
    Sweet 28.61%
    Woody 27.52%
    Mint 25.71%
    Spicy 24.0%
    Milky 20.16%
    Balsamic 19.77%
    Warm 19.36%
    Dry 18.9%

     

    Flavor
    Bitter 69.7%
    Odorless 32.23%
    Sweet-like 26.97%
    Bland 26.34%
    Fatty 24.21%
    Sweet 21.98%
    Cedarleaf 21.64%
    Fir 20.11%
    Sandalwood 20.06%
    Patchouli 20.0%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.33 (strong acid)

    Molecular weight
    2262.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3127°C

    Flash point

    • 222.86 ˚C est.

  • Synonyms

    • Amorphous aescin
    • Reparilu
    • Escina
    • RUU8G67GQM
    • DTXSID901021535
    • opinobiomo
    • Eskuzan
    • Fepalitan
    • Feparil
    • opino biomo
    • opino-biomo
    • beta Aescin
    • RefChem:921154
    • DTXCID701506551
    • 229-880-6
    • 6805-41-0
    • Escin
    • Aescusan
    • Escina [Italian]
    • Reparilu [Czech]
    • EINECS 229-880-6
    • UNII-RUU8G67GQM
    • A-4700
    • SCHEMBL284871
    • AKOS026749853
    • 6805-41-0

  • Applications

    Escin, a mixture of triterpene saponins from horse chestnut (Aesculus hippocastanum), is commonly evaluated for use as a natural surfactant and emulsifier in cosmetics and personal care formulations. It can function as a foaming and cleansing agent in household cleaning products. In coatings, inks, and adhesives, escin may act as a surface-active additive or dispersant to improve wetting and stability. In polymer and plastics processing, it has been explored as a natural processing aid/emulsifier. In pharmaceutical research and development, escin is used as a component in formulation studies and as a research reagent. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.06
    methanol 20.85
    isopropanol 0.73
    water 0.15
    ethyl acetate 1.72
    n-propanol 1.12
    acetone 5.35
    n-butanol 0.46
    acetonitrile 1.85
    DMF 68.85
    toluene 0.64
    isobutanol 0.43
    1,4-dioxane 9.06
    methyl acetate 2.92
    THF 15.45
    2-butanone 2.71
    n-pentanol 0.48
    sec-butanol 0.43
    n-hexane 0.03
    ethylene glycol 5.69
    NMP 49.82
    cyclohexane 0.05
    DMSO 54.91
    n-butyl acetate 0.64
    n-octanol 0.52
    chloroform 3.33
    n-propyl acetate 0.97
    acetic acid 24.22
    dichloromethane 3.39
    cyclohexanone 3.19
    propylene glycol 4.61
    isopropyl acetate 0.98
    DMAc 44.47
    2-ethoxyethanol 7.25
    isopentanol 0.26
    n-heptane 0.04
    ethyl formate 2.18
    1,2-dichloroethane 1.69
    n-hexanol 0.34
    2-methoxyethanol 17.66
    isobutyl acetate 0.45
    tetrachloromethane 0.37
    n-pentyl acetate 1.2
    transcutol 9.87
    n-heptanol 0.59
    ethylbenzene 0.24
    MIBK 0.8
    2-propoxyethanol 6.41
    tert-butanol 0.52
    MTBE 0.43
    2-butoxyethanol 3.99
    propionic acid 3.12
    o-xylene 0.46
    formic acid 34.51
    diethyl ether 0.79
    m-xylene 0.41
    p-xylene 0.33
    chlorobenzene 0.62
    dimethyl carbonate 8.11
    n-octane 0.03
    formamide 27.15
    cyclopentanone 10.02
    2-pentanone 1.62
    anisole 1.27
    cyclopentyl methyl ether 2.04
    gamma-butyrolactone 15.42
    1-methoxy-2-propanol 8.95
    pyridine 5.46
    3-pentanone 1.66
    furfural 16.27
    n-dodecane 0.02
    diethylene glycol 11.17
    diisopropyl ether 0.15
    tert-amyl alcohol 0.38
    acetylacetone 6.5
    n-hexadecane 0.02
    acetophenone 2.13
    methyl propionate 3.73
    isopentyl acetate 0.47
    trichloroethylene 5.79
    n-nonanol 0.53
    cyclohexanol 0.44
    benzyl alcohol 1.64
    2-ethylhexanol 0.17
    isooctanol 0.36
    dipropyl ether 0.59
    1,2-dichlorobenzene 0.68
    ethyl lactate 2.08
    propylene carbonate 4.2
    n-methylformamide 22.5
    2-pentanol 0.23
    n-pentane 0.03
    1-propoxy-2-propanol 3.23
    1-methoxy-2-propyl acetate 3.02
    2-(2-methoxypropoxy) propanol 3.25
    mesitylene 0.22
    ε-caprolactone 3.25
    p-cymene 0.15
    epichlorohydrin 10.88
    1,1,1-trichloroethane 0.81
    2-aminoethanol 4.97
    morpholine-4-carbaldehyde 43.23
    sulfolane 37.2
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.11
    n-hexyl acetate 1.19
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.45
    sec-butyl acetate 0.45
    tert-butyl acetate 1.08
    decalin 0.02
    glycerin 15.47
    diglyme 9.95
    acrylic acid 8.25
    isopropyl myristate 0.29
    n-butyric acid 2.03
    acetyl acetate 2.56
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 1.03
    nitromethane 41.67
    1,2-diethoxyethane 1.79
    benzonitrile 1.09
    trioctyl phosphate 0.46
    1-bromopropane 0.35
    gamma-valerolactone 27.7
    n-decanol 0.3
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.15
    propionitrile 0.92
    vinylene carbonate 5.6
    1,1,2-trichlorotrifluoroethane 23.9
    DMS 2.47
    cumene 0.14
    2-octanol 0.32
    2-hexanone 0.96
    octyl acetate 0.59
    limonene 0.19
    1,2-dimethoxyethane 8.76
    ethyl orthosilicate 0.46
    tributyl phosphate 0.38
    diacetone alcohol 2.96
    N,N-dimethylaniline 1.26
    acrylonitrile 2.91
    aniline 1.15
    1,3-propanediol 3.55
    bromobenzene 0.57
    dibromomethane 1.19
    1,1,2,2-tetrachloroethane 4.08
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 0.92
    diisobutyl methanol 0.11
    2-phenylethanol 1.18
    styrene 0.3
    dioctyl adipate 0.8
    dimethyl sulfate 19.69
    ethyl butyrate 0.68
    methyl lactate 8.5
    butyl lactate 1.77
    diethyl carbonate 0.51
    propanediol butyl ether 5.02
    triethyl orthoformate 0.81
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.78
    morpholine 8.82
    tert-butylamine 0.14
    n-dodecanol 0.18
    dimethoxymethane 24.02
    ethylene carbonate 2.97
    cyrene 9.57
    2-ethoxyethyl acetate 3.34
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 1.16
    4-methylpyridine 2.49
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.11
    DEF 4.19
    dimethyl isosorbide 6.48
    tetrachloroethylene 2.98
    eugenol 3.0
    triacetin 3.49
    span 80 3.14
    1,4-butanediol 1.98
    1,1-dichloroethane 0.82
    2-methyl-1-pentanol 0.26
    methyl formate 21.99
    2-methyl-1-butanol 0.28
    n-decane 0.04
    butyronitrile 0.48
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.16
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.07
    tetrahydropyran 1.75
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 6.38
    1-hexene 0.09
    2-isopropoxyethanol 2.91
    2,2,2-trifluoroethanol 9.39
    methyl butyrate 1.3

    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