Aloesol

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  • Identifiers

    CAS number
    104871-04-7

    Molecular formula
    C13H14O4

    SMILES
    CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 43.01%
    Odorless 33.93%
    Sweet 28.67%
    Phenolic 28.14%
    Burnt 27.18%
    Roasted 26.69%
    Animal 24.71%
    Creamy 24.55%
    Vanilla 23.98%
    Nutty 23.34%

     

    Flavor
    Bitter 57.19%
    Mild 30.98%
    Odorless 29.42%
    Fruity 20.67%
    Cooked beef juice 20.23%
    Cedarleaf 20.2%
    Parsley 19.94%
    Ethyl benzoate 19.88%
    Sweet-like 19.81%
    Orange flower 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.99 (weak base)

    Molecular weight
    234.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    629°C

    Melting point expt.

    • 187.5 - 189 °C

    Flash point

    • 194.55 ˚C est.

  • Synonyms

    • Aloesol
    • 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
    • 7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4H-chromen-4-one
    • RefChem:110961
    • dl-Aloesol
    • 104871-04-7
    • 94356-35-1
    • orb1682740
    • SCHEMBL28097802
    • CHEBI:174202
    • HY-N8846
    • AKOS040761633
    • CS-0149164
    • F92984
    • 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromone
    • 2-(2'-hydroxypropyl)-5-methyl-7-hydroxychromone
    • 7-Hydroxy-2-(2-hydroxypropyl)-5-methyl-4H-1-benzopyran-4-one, 9CI
    • 94356-35-1

  • Applications

    Aloesol (CAS 104871-04-7) is used as a solvent and fragrance ingredient in perfumery and cosmetics; used as a solvent for cleaning and personal care products; serves as a processing aid or solvent in coatings and inks; and can function as an intermediate in industrial manufacturing and materials synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.67
    methanol 20.53
    isopropanol 8.69
    water 0.27
    ethyl acetate 8.89
    n-propanol 10.71
    acetone 21.03
    n-butanol 10.35
    acetonitrile 12.23
    DMF 272.37
    toluene 0.8
    isobutanol 9.14
    1,4-dioxane 29.55
    methyl acetate 14.7
    THF 124.99
    2-butanone 11.53
    n-pentanol 10.77
    sec-butanol 6.61
    n-hexane 0.05
    ethylene glycol 36.59
    NMP 206.97
    cyclohexane 0.05
    DMSO 356.17
    n-butyl acetate 12.75
    n-octanol 9.35
    chloroform 2.32
    n-propyl acetate 16.11
    acetic acid 97.37
    dichloromethane 4.23
    cyclohexanone 30.69
    propylene glycol 57.56
    isopropyl acetate 7.02
    DMAc 147.86
    2-ethoxyethanol 70.42
    isopentanol 11.66
    n-heptane 0.1
    ethyl formate 16.97
    1,2-dichloroethane 3.98
    n-hexanol 7.67
    2-methoxyethanol 182.13
    isobutyl acetate 12.39
    tetrachloromethane 0.21
    n-pentyl acetate 12.59
    transcutol 435.48
    n-heptanol 7.36
    ethylbenzene 0.69
    MIBK 10.66
    2-propoxyethanol 79.37
    tert-butanol 14.24
    MTBE 3.27
    2-butoxyethanol 39.06
    propionic acid 33.84
    o-xylene 0.82
    formic acid 68.03
    diethyl ether 1.92
    m-xylene 1.22
    p-xylene 1.13
    chlorobenzene 2.07
    dimethyl carbonate 21.53
    n-octane 0.06
    formamide 80.44
    cyclopentanone 75.2
    2-pentanone 11.24
    anisole 6.48
    cyclopentyl methyl ether 17.98
    gamma-butyrolactone 139.92
    1-methoxy-2-propanol 128.64
    pyridine 11.86
    3-pentanone 4.69
    furfural 105.99
    n-dodecane 0.16
    diethylene glycol 126.86
    diisopropyl ether 0.72
    tert-amyl alcohol 9.28
    acetylacetone 33.25
    n-hexadecane 0.18
    acetophenone 14.04
    methyl propionate 17.38
    isopentyl acetate 13.77
    trichloroethylene 10.89
    n-nonanol 9.44
    cyclohexanol 9.74
    benzyl alcohol 15.78
    2-ethylhexanol 5.86
    isooctanol 6.83
    dipropyl ether 3.92
    1,2-dichlorobenzene 2.9
    ethyl lactate 31.41
    propylene carbonate 58.81
    n-methylformamide 85.69
    2-pentanol 4.74
    n-pentane 0.03
    1-propoxy-2-propanol 52.49
    1-methoxy-2-propyl acetate 37.43
    2-(2-methoxypropoxy) propanol 69.56
    mesitylene 0.81
    ε-caprolactone 45.22
    p-cymene 1.58
    epichlorohydrin 98.77
    1,1,1-trichloroethane 1.76
    2-aminoethanol 44.04
    morpholine-4-carbaldehyde 224.07
    sulfolane 221.7
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 27.19
    n-hexyl acetate 20.06
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 112.61
    sec-butyl acetate 7.56
    tert-butyl acetate 12.02
    decalin 0.14
    glycerin 154.16
    diglyme 150.72
    acrylic acid 50.92
    isopropyl myristate 7.26
    n-butyric acid 33.56
    acetyl acetate 9.38
    di(2-ethylhexyl) phthalate 14.61
    ethyl propionate 11.63
    nitromethane 150.35
    1,2-diethoxyethane 23.09
    benzonitrile 13.33
    trioctyl phosphate 10.2
    1-bromopropane 0.99
    gamma-valerolactone 183.54
    n-decanol 6.88
    triethyl phosphate 10.57
    4-methyl-2-pentanol 4.98
    propionitrile 6.9
    vinylene carbonate 48.77
    1,1,2-trichlorotrifluoroethane 99.27
    DMS 28.63
    cumene 0.92
    2-octanol 4.95
    2-hexanone 12.78
    octyl acetate 11.49
    limonene 2.0
    1,2-dimethoxyethane 78.71
    ethyl orthosilicate 9.01
    tributyl phosphate 13.52
    diacetone alcohol 51.42
    N,N-dimethylaniline 6.05
    acrylonitrile 18.8
    aniline 6.07
    1,3-propanediol 60.16
    bromobenzene 1.28
    dibromomethane 1.58
    1,1,2,2-tetrachloroethane 7.23
    2-methyl-cyclohexyl acetate 14.06
    tetrabutyl urea 20.22
    diisobutyl methanol 4.11
    2-phenylethanol 14.68
    styrene 0.72
    dioctyl adipate 18.17
    dimethyl sulfate 63.69
    ethyl butyrate 11.37
    methyl lactate 54.45
    butyl lactate 28.89
    diethyl carbonate 8.97
    propanediol butyl ether 76.68
    triethyl orthoformate 11.36
    p-tert-butyltoluene 1.62
    methyl 4-tert-butylbenzoate 27.95
    morpholine 61.84
    tert-butylamine 3.21
    n-dodecanol 4.82
    dimethoxymethane 81.26
    ethylene carbonate 34.56
    cyrene 70.37
    2-ethoxyethyl acetate 32.15
    2-ethylhexyl acetate 8.86
    1,2,4-trichlorobenzene 5.43
    4-methylpyridine 14.18
    dibutyl ether 5.88
    2,6-dimethyl-4-heptanol 4.11
    DEF 26.76
    dimethyl isosorbide 104.39
    tetrachloroethylene 3.04
    eugenol 37.65
    triacetin 38.96
    span 80 52.5
    1,4-butanediol 26.6
    1,1-dichloroethane 1.82
    2-methyl-1-pentanol 10.54
    methyl formate 76.97
    2-methyl-1-butanol 9.73
    n-decane 0.23
    butyronitrile 8.11
    3,7-dimethyl-1-octanol 9.54
    1-chlorooctane 1.73
    1-chlorotetradecane 0.83
    n-nonane 0.16
    undecane 0.19
    tert-butylcyclohexane 0.18
    cyclooctane 0.03
    cyclopentanol 19.81
    tetrahydropyran 9.67
    tert-amyl methyl ether 3.69
    2,5,8-trioxanonane 118.09
    1-hexene 0.44
    2-isopropoxyethanol 38.99
    2,2,2-trifluoroethanol 34.79
    methyl butyrate 20.15

    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