Methyl aloesinyl cinnamate

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  • Identifiers

    CAS number
    175413-23-7

    Molecular formula
    C29H32O10

    SMILES
    CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=CC=C4)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.63%
    Sweet 34.8%
    Vanilla 30.29%
    Milky 24.81%
    Fruity 22.98%
    Grape 21.59%
    Savory 21.57%
    Creamy 20.27%
    Powdery 19.5%
    Balsamic 19.12%

     

    Flavor
    Bitter 80.9%
    Odorless 32.73%
    Bland 27.45%
    Sweet-like 21.01%
    Mild 19.63%
    Cedarleaf 19.02%
    Parsley 19.01%
    Ethyl benzoate 18.85%
    Lovage 18.71%
    Heather 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.38 (neutral)

    Molecular weight
    540.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4057°C

    Flash point

    • 268.95 ˚C est.

  • Synonyms

    • Methyl aloesinyl cinnamate
    • 175413-23-7
    • Aloe C-glucosylchromone
    • 9611Y0JY0W
    • (1S)-1,5-anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl}-2-O-[(2E)-3-phenylprop-2-enoyl]-D-glucitol
    • [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate
    • 8-[C-beta-D-[2-O-(E)-cinnamoyl]glucopyranosyl]-2-[(R)-2-hydroxypropyl]-7-methoxy-5-methylchromone
    • UNII-9611Y0JY0W
    • CHEMBL517930
    • CHEBI:65388
    • DTXSID00169984
    • 4H-1-Benzopyran-4-one, 2-((2R)-2-hydroxypropyl)-7-methoxy-5-methyl-8-(2-O-((2E)-1-oxo-3-phenyl-2-propen-1-yl)-beta-D-glucopyranosyl)-
    • 4H-1-Benzopyran-4-one, 2-((2R)-2-hydroxypropyl)-7-methoxy-5-methyl-8-(2-O-((2E)-1-oxo-3-phenyl-2-propenyl)-beta-D-glucopyranosyl)-
    • 4H-1-Benzopyran-4-one, 2-(2-hydroxypropyl)-7-methoxy-5-methyl-8-((E)-2-O-(1-oxo-3-phenyl-2-propenyl)-beta-D-glucopyranosyl)-, (R)-
    • Q27133833
    • (1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-1-benzopyran-8-yl}-2-O-[(2E)-3-phenylprop-2-enoyl]-D-glucitol
    • 4H-1-BENZOPYRAN-4-ONE, 2-((2R)-2-HYDROXYPROPYL)-7-METHOXY-5-METHYL-8-(2-O-((2E)-1-OXO-3-PHENYL-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-
    • 4H-1-BENZOPYRAN-4-ONE, 2-((2R)-2-HYDROXYPROPYL)-7-METHOXY-5-METHYL-8-(2-O-((2E)-1-OXO-3-PHENYL-2-PROPENYL)-.BETA.-D-GLUCOPYRANOSYL)-
    • 4H-1-BENZOPYRAN-4-ONE, 2-(2-HYDROXYPROPYL)-7-METHOXY-5-METHYL-8-((E)-2-O-(1-OXO-3-PHENYL-2-PROPENYL)-.BETA.-D-GLUCOPYRANOSYL)-, (R)-
    • 175413-23-7

  • Applications

    Methyl aloesinyl cinnamate (CAS 175413-23-7) is an ester that is considered a UV-absorbing and photostabilizing compound, and is thus evaluated for use in cosmetics and personal care as a UV-filtering ingredient and antioxidant; it can act as a photostabilizer in coatings and inks; in the plastics and polymer sectors it may serve as a UV absorber/stabilizer to enhance light resistance of films and surfaces; it also serves as an important intermediate in the synthesis of cinnamate-derived compounds for industrial applications and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.01
    methanol 37.27
    isopropanol 4.79
    water 0.21
    ethyl acetate 1.77
    n-propanol 8.79
    acetone 11.29
    n-butanol 4.08
    acetonitrile 2.63
    DMF 77.1
    toluene 0.46
    isobutanol 3.67
    1,4-dioxane 10.75
    methyl acetate 5.37
    THF 28.93
    2-butanone 8.72
    n-pentanol 2.82
    sec-butanol 4.21
    n-hexane 0.03
    ethylene glycol 18.01
    NMP 97.28
    cyclohexane 0.06
    DMSO 109.58
    n-butyl acetate 0.89
    n-octanol 0.86
    chloroform 4.5
    n-propyl acetate 1.36
    acetic acid 69.45
    dichloromethane 5.66
    cyclohexanone 12.93
    propylene glycol 22.74
    isopropyl acetate 0.89
    DMAc 92.42
    2-ethoxyethanol 15.99
    isopentanol 2.0
    n-heptane 0.04
    ethyl formate 3.86
    1,2-dichloroethane 3.92
    n-hexanol 1.08
    2-methoxyethanol 42.01
    isobutyl acetate 0.66
    tetrachloromethane 0.48
    n-pentyl acetate 1.35
    transcutol 20.98
    n-heptanol 1.18
    ethylbenzene 0.2
    MIBK 1.25
    2-propoxyethanol 10.49
    tert-butanol 2.37
    MTBE 0.75
    2-butoxyethanol 7.07
    propionic acid 15.41
    o-xylene 0.33
    formic acid 61.39
    diethyl ether 1.2
    m-xylene 0.25
    p-xylene 0.27
    chlorobenzene 0.61
    dimethyl carbonate 6.42
    n-octane 0.02
    formamide 49.09
    cyclopentanone 26.46
    2-pentanone 3.43
    anisole 0.87
    cyclopentyl methyl ether 2.89
    gamma-butyrolactone 31.55
    1-methoxy-2-propanol 23.45
    pyridine 7.84
    3-pentanone 3.04
    furfural 20.13
    n-dodecane 0.02
    diethylene glycol 17.35
    diisopropyl ether 0.14
    tert-amyl alcohol 2.4
    acetylacetone 5.54
    n-hexadecane 0.02
    acetophenone 1.98
    methyl propionate 5.14
    isopentyl acetate 0.76
    trichloroethylene 9.6
    n-nonanol 0.91
    cyclohexanol 2.81
    benzyl alcohol 2.85
    2-ethylhexanol 0.48
    isooctanol 0.81
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.6
    ethyl lactate 3.12
    propylene carbonate 6.77
    n-methylformamide 33.6
    2-pentanol 1.4
    n-pentane 0.05
    1-propoxy-2-propanol 5.25
    1-methoxy-2-propyl acetate 2.78
    2-(2-methoxypropoxy) propanol 6.42
    mesitylene 0.11
    ε-caprolactone 10.37
    p-cymene 0.14
    epichlorohydrin 23.69
    1,1,1-trichloroethane 1.12
    2-aminoethanol 21.28
    morpholine-4-carbaldehyde 49.73
    sulfolane 73.4
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.01
    n-hexyl acetate 1.44
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.42
    sec-butyl acetate 0.62
    tert-butyl acetate 0.9
    decalin 0.03
    glycerin 46.17
    diglyme 14.12
    acrylic acid 25.55
    isopropyl myristate 0.45
    n-butyric acid 7.67
    acetyl acetate 1.7
    di(2-ethylhexyl) phthalate 1.28
    ethyl propionate 1.18
    nitromethane 52.45
    1,2-diethoxyethane 2.1
    benzonitrile 1.42
    trioctyl phosphate 0.86
    1-bromopropane 1.02
    gamma-valerolactone 50.2
    n-decanol 0.61
    triethyl phosphate 0.87
    4-methyl-2-pentanol 0.54
    propionitrile 2.37
    vinylene carbonate 7.83
    1,1,2-trichlorotrifluoroethane 40.15
    DMS 2.35
    cumene 0.14
    2-octanol 0.56
    2-hexanone 2.28
    octyl acetate 0.9
    limonene 0.24
    1,2-dimethoxyethane 12.18
    ethyl orthosilicate 0.71
    tributyl phosphate 0.87
    diacetone alcohol 5.12
    N,N-dimethylaniline 0.88
    acrylonitrile 5.51
    aniline 2.16
    1,3-propanediol 17.51
    bromobenzene 0.4
    dibromomethane 2.28
    1,1,2,2-tetrachloroethane 7.08
    2-methyl-cyclohexyl acetate 1.07
    tetrabutyl urea 1.81
    diisobutyl methanol 0.26
    2-phenylethanol 1.51
    styrene 0.23
    dioctyl adipate 1.39
    dimethyl sulfate 16.84
    ethyl butyrate 0.89
    methyl lactate 13.43
    butyl lactate 3.18
    diethyl carbonate 0.68
    propanediol butyl ether 8.05
    triethyl orthoformate 1.05
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 3.07
    morpholine 20.78
    tert-butylamine 0.59
    n-dodecanol 0.4
    dimethoxymethane 22.0
    ethylene carbonate 5.03
    cyrene 13.38
    2-ethoxyethyl acetate 3.09
    2-ethylhexyl acetate 0.55
    1,2,4-trichlorobenzene 1.23
    4-methylpyridine 3.5
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.26
    DEF 7.98
    dimethyl isosorbide 9.4
    tetrachloroethylene 4.72
    eugenol 3.92
    triacetin 3.52
    span 80 5.96
    1,4-butanediol 7.71
    1,1-dichloroethane 1.61
    2-methyl-1-pentanol 1.66
    methyl formate 23.07
    2-methyl-1-butanol 2.74
    n-decane 0.04
    butyronitrile 1.39
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.22
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 7.02
    tetrahydropyran 4.53
    tert-amyl methyl ether 0.87
    2,5,8-trioxanonane 9.99
    1-hexene 0.18
    2-isopropoxyethanol 6.18
    2,2,2-trifluoroethanol 21.21
    methyl butyrate 2.0

    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