Blepharin

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  • Identifiers

    CAS number
    27625-86-1

    Molecular formula
    C14H17NO8

    SMILES
    C1=CC=C2C(=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.42%
    Sweet 33.98%
    Vanilla 25.11%
    Caramellic 21.85%
    Bitter 20.43%
    Savory 20.26%
    Milky 19.11%
    Burnt 18.39%
    Spicy 17.49%
    Smoky 15.76%

     

    Flavor
    Bitter 74.16%
    Odorless 31.51%
    Sweet 28.22%
    Sweet-like 27.8%
    Bland 25.03%
    Fatty 21.84%
    Very mild 20.78%
    Cauliflower 20.41%
    Naphthalic 20.37%
    Alkaline 20.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    5.82 (weak acid)

    Molecular weight
    327.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2026°C

    Melting point expt.

    • 226 - 227 °C

    Flash point

    • 245.71 ˚C est.

  • Synonyms

    • Blepharin
    • 27625-86-1
    • 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
    • (+)-Blepharin
    • HBOA-Glc
    • HBOA + O-Hex
    • SCHEMBL29724028
    • CHEBI:169255
    • (2R)-2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one
    • 2-(beta-D-Glucopyranosyloxy)-2H-1,4-benzoxazin-3(4H)-one
    • 27625-86-1

  • Applications

    Blepharin (CAS 27625-86-1) is primarily used as an intermediate in organic synthesis and may function as a processing aid or solvent in various industrial formulations. In coatings and inks, it can serve as a soluble or reactive additive supporting formulation and processing. In polymers and plastics, it is sometimes employed as a stabilizer or plasticizer depending on the formulation. In cosmetics and personal care or fragrance applications, it may be considered as a solvent or fragrance-related component, subject to formulation limits. It may also appear in cleaning formulations as a specialty solvent, again depending on regulatory compliance and product specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.23
    methanol 19.51
    isopropanol 3.83
    water 21.71
    ethyl acetate 1.99
    n-propanol 3.39
    acetone 8.0
    n-butanol 4.74
    acetonitrile 3.0
    DMF 102.2
    toluene 0.86
    isobutanol 1.49
    1,4-dioxane 10.4
    methyl acetate 1.98
    THF 13.58
    2-butanone 2.9
    n-pentanol 1.32
    sec-butanol 2.11
    n-hexane 0.05
    ethylene glycol 49.65
    NMP 58.98
    cyclohexane 0.35
    DMSO 387.52
    n-butyl acetate 0.64
    n-octanol 1.77
    chloroform 0.28
    n-propyl acetate 0.64
    acetic acid 38.99
    dichloromethane 0.46
    cyclohexanone 6.98
    propylene glycol 23.19
    isopropyl acetate 1.34
    DMAc 80.05
    2-ethoxyethanol 27.54
    isopentanol 2.43
    n-heptane 0.3
    ethyl formate 3.22
    1,2-dichloroethane 0.86
    n-hexanol 1.24
    2-methoxyethanol 89.81
    isobutyl acetate 0.28
    tetrachloromethane 0.14
    n-pentyl acetate 1.09
    transcutol 45.9
    n-heptanol 2.17
    ethylbenzene 0.24
    MIBK 1.82
    2-propoxyethanol 13.36
    tert-butanol 3.35
    MTBE 0.85
    2-butoxyethanol 9.38
    propionic acid 5.36
    o-xylene 0.87
    formic acid 158.89
    diethyl ether 1.76
    m-xylene 0.71
    p-xylene 0.29
    chlorobenzene 0.31
    dimethyl carbonate 6.66
    n-octane 0.2
    formamide 145.62
    cyclopentanone 11.14
    2-pentanone 3.76
    anisole 0.96
    cyclopentyl methyl ether 4.26
    gamma-butyrolactone 13.54
    1-methoxy-2-propanol 39.74
    pyridine 4.81
    3-pentanone 2.4
    furfural 16.57
    n-dodecane 0.14
    diethylene glycol 39.93
    diisopropyl ether 0.47
    tert-amyl alcohol 2.26
    acetylacetone 9.21
    n-hexadecane 0.16
    acetophenone 1.85
    methyl propionate 3.99
    isopentyl acetate 0.67
    trichloroethylene 1.15
    n-nonanol 1.91
    cyclohexanol 4.17
    benzyl alcohol 2.35
    2-ethylhexanol 0.8
    isooctanol 1.45
    dipropyl ether 1.65
    1,2-dichlorobenzene 0.34
    ethyl lactate 3.68
    propylene carbonate 3.97
    n-methylformamide 37.26
    2-pentanol 2.04
    n-pentane 0.13
    1-propoxy-2-propanol 8.33
    1-methoxy-2-propyl acetate 3.81
    2-(2-methoxypropoxy) propanol 10.29
    mesitylene 0.52
    ε-caprolactone 5.9
    p-cymene 0.46
    epichlorohydrin 7.99
    1,1,1-trichloroethane 0.23
    2-aminoethanol 28.28
    morpholine-4-carbaldehyde 59.46
    sulfolane 49.02
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.59
    n-hexyl acetate 1.44
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.63
    sec-butyl acetate 0.43
    tert-butyl acetate 1.7
    decalin 0.08
    glycerin 90.84
    diglyme 28.62
    acrylic acid 11.93
    isopropyl myristate 0.86
    n-butyric acid 6.78
    acetyl acetate 2.26
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 0.93
    nitromethane 46.23
    1,2-diethoxyethane 3.93
    benzonitrile 1.11
    trioctyl phosphate 1.29
    1-bromopropane 0.32
    gamma-valerolactone 32.54
    n-decanol 1.54
    triethyl phosphate 1.35
    4-methyl-2-pentanol 0.95
    propionitrile 1.21
    vinylene carbonate 4.08
    1,1,2-trichlorotrifluoroethane 23.9
    DMS 2.14
    cumene 0.19
    2-octanol 1.19
    2-hexanone 0.83
    octyl acetate 1.36
    limonene 0.78
    1,2-dimethoxyethane 16.87
    ethyl orthosilicate 1.2
    tributyl phosphate 1.09
    diacetone alcohol 9.52
    N,N-dimethylaniline 1.22
    acrylonitrile 2.97
    aniline 2.75
    1,3-propanediol 40.61
    bromobenzene 0.21
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.32
    2-methyl-cyclohexyl acetate 0.95
    tetrabutyl urea 2.9
    diisobutyl methanol 0.82
    2-phenylethanol 1.94
    styrene 0.25
    dioctyl adipate 1.81
    dimethyl sulfate 18.93
    ethyl butyrate 1.1
    methyl lactate 17.64
    butyl lactate 2.85
    diethyl carbonate 0.87
    propanediol butyl ether 11.96
    triethyl orthoformate 1.6
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 4.54
    morpholine 16.88
    tert-butylamine 0.89
    n-dodecanol 1.2
    dimethoxymethane 31.63
    ethylene carbonate 3.13
    cyrene 14.67
    2-ethoxyethyl acetate 2.76
    2-ethylhexyl acetate 0.46
    1,2,4-trichlorobenzene 0.57
    4-methylpyridine 2.82
    dibutyl ether 1.11
    2,6-dimethyl-4-heptanol 0.82
    DEF 11.69
    dimethyl isosorbide 12.95
    tetrachloroethylene 1.13
    eugenol 5.41
    triacetin 4.06
    span 80 8.22
    1,4-butanediol 10.9
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 0.85
    methyl formate 23.79
    2-methyl-1-butanol 1.89
    n-decane 0.24
    butyronitrile 1.43
    3,7-dimethyl-1-octanol 1.14
    1-chlorooctane 0.49
    1-chlorotetradecane 0.26
    n-nonane 0.23
    undecane 0.18
    tert-butylcyclohexane 0.04
    cyclooctane 0.24
    cyclopentanol 4.68
    tetrahydropyran 3.81
    tert-amyl methyl ether 1.21
    2,5,8-trioxanonane 25.12
    1-hexene 0.12
    2-isopropoxyethanol 8.66
    2,2,2-trifluoroethanol 20.75
    methyl butyrate 1.37

    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