Aloesin

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  • Identifiers

    CAS number
    30861-27-9

    Molecular formula
    C19H22O9

    SMILES
    CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.98%
    Vanilla 28.86%
    Sweet 27.45%
    Milky 24.78%
    Savory 22.9%
    Caramellic 22.18%
    Creamy 21.13%
    Burnt 21.11%
    Bitter 18.49%
    Phenolic 17.54%

     

    Flavor
    Bitter 68.68%
    Odorless 35.03%
    Bland 27.75%
    Sweet-like 23.78%
    Mild 21.9%
    Cedarleaf 20.09%
    Very mild 19.97%
    Parsley 19.76%
    Leaves 19.43%
    Eugenol 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.29 (neutral)

    Molecular weight
    394.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3549°C

    Flash point

    • 283.24 ˚C est.

  • Synonyms

    • Aloesin
    • 30861-27-9
    • Aloe resin B
    • Aloeresin B
    • Y27M69Y8ES
    • DTXSID80184877
    • 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-
    • 8-beta-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one
    • NSC-631262
    • 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • RefChem:110960
    • DTXCID20107368
    • Aloeresin
    • CHEMBL5172191
    • 4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-
    • 7-Hydroxy-5-methyl-2-(2-oxopropyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
    • Aloersin B
    • UNII-Y27M69Y8ES
    • NSC631262
    • NSC 631262
    • ALOESIN [MI]
    • CHEBI:2608
    • orb1301521
    • SCHEMBL6936841
    • SCHEMBL29598750
    • HKIKAXXIWJHWLY-ZIIYPAMZSA-N
    • HY-N2460
    • BDBM50600326
    • MFCD00869744
    • s9284
    • AKOS030632376
    • CCG-268585
    • EBC-616879
    • 2-(2-Oxopropyl)-5-Methyl-7-Hydroxy-8-(beta-D-Glucopyranosyl)-4H-1-Benzopyran-4-One
    • 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
    • AC-34460
    • DA-60942
    • MA146489
    • MS-26618
    • CS-0022690
    • C08994
    • C15539
    • Q27105732
    • 2-acetonyl-8-beta-d-glucopyranosyl-7-hydroxy-5-methylchromone
    • 8-?-D-Glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one
    • (1S)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-D-glucitol
    • 30861-27-9

  • Applications

    Aloesin (CAS 30861-27-9) is a flavonoid glycoside derived from Aloe vera and is used or studied for several industrial applications: cosmetics/personal care as a tyrosinase inhibitor and antioxidant supporting skin-brightening formulations and formulation stability; in pharmaceuticals and research as an intermediate for synthesizing flavonoid derivatives and as a bioactive scaffold; in polymers and coatings/inks as an antioxidant additive or stabilizer to improve aging resistance and color stability; and in industrial manufacturing as an antioxidant stabilizer for processing formulations and coating systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.84
    methanol 11.33
    isopropanol 0.51
    water 0.21
    ethyl acetate 0.05
    n-propanol 1.34
    acetone 0.36
    n-butanol 0.51
    acetonitrile 0.15
    DMF 29.84
    toluene 0.02
    isobutanol 0.46
    1,4-dioxane 0.82
    methyl acetate 0.14
    THF 2.08
    2-butanone 0.38
    n-pentanol 0.39
    sec-butanol 0.43
    n-hexane 0.01
    ethylene glycol 16.79
    NMP 43.67
    cyclohexane 0.01
    DMSO 74.55
    n-butyl acetate 0.09
    n-octanol 0.19
    chloroform 0.03
    n-propyl acetate 0.09
    acetic acid 7.11
    dichloromethane 0.05
    cyclohexanone 1.03
    propylene glycol 14.51
    isopropyl acetate 0.04
    DMAc 23.97
    2-ethoxyethanol 6.87
    isopentanol 0.29
    n-heptane 0.01
    ethyl formate 0.18
    1,2-dichloroethane 0.07
    n-hexanol 0.23
    2-methoxyethanol 26.17
    isobutyl acetate 0.05
    tetrachloromethane 0.01
    n-pentyl acetate 0.12
    transcutol 12.57
    n-heptanol 0.32
    ethylbenzene 0.02
    MIBK 0.12
    2-propoxyethanol 4.72
    tert-butanol 0.29
    MTBE 0.05
    2-butoxyethanol 3.18
    propionic acid 1.41
    o-xylene 0.03
    formic acid 40.21
    diethyl ether 0.07
    m-xylene 0.02
    p-xylene 0.03
    chlorobenzene 0.01
    dimethyl carbonate 0.4
    n-octane 0.01
    formamide 30.02
    cyclopentanone 1.94
    2-pentanone 0.18
    anisole 0.08
    cyclopentyl methyl ether 0.29
    gamma-butyrolactone 2.75
    1-methoxy-2-propanol 10.97
    pyridine 0.45
    3-pentanone 0.17
    furfural 3.25
    n-dodecane 0.0
    diethylene glycol 14.6
    diisopropyl ether 0.02
    tert-amyl alcohol 0.33
    acetylacetone 0.31
    n-hexadecane 0.0
    acetophenone 0.22
    methyl propionate 0.25
    isopentyl acetate 0.11
    trichloroethylene 0.11
    n-nonanol 0.22
    cyclohexanol 0.38
    benzyl alcohol 0.37
    2-ethylhexanol 0.11
    isooctanol 0.22
    dipropyl ether 0.15
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.75
    propylene carbonate 0.5
    n-methylformamide 11.11
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 0.54
    2-(2-methoxypropoxy) propanol 3.42
    mesitylene 0.02
    ε-caprolactone 0.91
    p-cymene 0.03
    epichlorohydrin 1.27
    1,1,1-trichloroethane 0.01
    2-aminoethanol 16.23
    morpholine-4-carbaldehyde 21.55
    sulfolane 19.92
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.39
    n-hexyl acetate 0.17
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.77
    sec-butyl acetate 0.04
    tert-butyl acetate 0.07
    decalin 0.01
    glycerin 52.45
    diglyme 7.05
    acrylic acid 3.16
    isopropyl myristate 0.07
    n-butyric acid 0.54
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.32
    ethyl propionate 0.08
    nitromethane 4.93
    1,2-diethoxyethane 0.34
    benzonitrile 0.11
    trioctyl phosphate 0.22
    1-bromopropane 0.03
    gamma-valerolactone 9.82
    n-decanol 0.15
    triethyl phosphate 0.19
    4-methyl-2-pentanol 0.09
    propionitrile 0.14
    vinylene carbonate 0.55
    1,1,2-trichlorotrifluoroethane 7.54
    DMS 0.27
    cumene 0.02
    2-octanol 0.12
    2-hexanone 0.18
    octyl acetate 0.14
    limonene 0.05
    1,2-dimethoxyethane 3.29
    ethyl orthosilicate 0.16
    tributyl phosphate 0.21
    diacetone alcohol 1.11
    N,N-dimethylaniline 0.14
    acrylonitrile 0.41
    aniline 0.12
    1,3-propanediol 7.84
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.11
    2-methyl-cyclohexyl acetate 0.19
    tetrabutyl urea 0.61
    diisobutyl methanol 0.07
    2-phenylethanol 0.27
    styrene 0.02
    dioctyl adipate 0.25
    dimethyl sulfate 2.22
    ethyl butyrate 0.1
    methyl lactate 3.03
    butyl lactate 0.81
    diethyl carbonate 0.08
    propanediol butyl ether 4.36
    triethyl orthoformate 0.19
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.86
    morpholine 2.69
    tert-butylamine 0.07
    n-dodecanol 0.1
    dimethoxymethane 3.99
    ethylene carbonate 0.3
    cyrene 7.4
    2-ethoxyethyl acetate 0.32
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.18
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.07
    DEF 0.94
    dimethyl isosorbide 4.72
    tetrachloroethylene 0.1
    eugenol 1.49
    triacetin 0.65
    span 80 2.63
    1,4-butanediol 3.25
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.24
    methyl formate 3.98
    2-methyl-1-butanol 0.37
    n-decane 0.01
    butyronitrile 0.1
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.77
    tetrahydropyran 0.28
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 5.44
    1-hexene 0.03
    2-isopropoxyethanol 1.81
    2,2,2-trifluoroethanol 2.4
    methyl butyrate 0.17

    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