Helicin

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  • Identifiers

    CAS number
    618-65-5

    Molecular formula
    C13H16O7

    SMILES
    C1=CC=C(C(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.37%
    Sweet 45.72%
    Vanilla 37.47%
    Caramellic 26.38%
    Bitter 25.03%
    Spicy 25.03%
    Phenolic 21.82%
    Milky 20.4%
    Burnt 19.57%
    Almond 19.4%

     

    Flavor
    Bitter 77.01%
    Sweet 37.63%
    Odorless 29.6%
    Sweet-like 25.38%
    Vanilla 24.3%
    Bland 21.71%
    Naphthalic 21.08%
    Very slight 20.32%
    Fenugreek 20.15%
    Cauliflower 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    6.27 (neutral)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1107°C

    Flash point

    • 238.68 ˚C est.

  • Synonyms

    • Helicin
    • 2-(beta-D-Glucopyranosyloxy)benzaldehyde
    • 2-Formylphenyl beta-D-Glucopyranoside
    • UNII-6N4TI8P9R5
    • 6N4TI8P9R5
    • 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
    • HELICIN [MI]
    • EINECS 210-558-9
    • HELICIN [WHO-DD]
    • salicylaldehyde beta-D-glucopyranoside
    • CHEBI:73235
    • DTXSID20877231
    • 2-hydroxybenzaldehyde beta-D-glucopyranoside
    • 2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzaldehyde
    • RefChem:145477
    • DTXCID901015312
    • Salicylaldehyde b-D-glucopyranoside
    • Salicylaldehyde I2-D-glucopyranoside
    • 2-(b-D-Glucopyranosyloxy)benzaldehyde
    • 2-Hydroxybenzaldehyde b-D-glucopyranoside
    • 2-Hydroxybenzaldehyde I2-D-glucopyranoside
    • 618-65-5
    • MFCD00006589
    • salicylaldehyde b-d-glucoside
    • 2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzaldehyde
    • 2-Formylphenyl b-D-glucopyranoside
    • Salicylaldehyde-beta-D-glucoside
    • helicine
    • Salicylaldehyde beta-D-glucoside
    • Helicin, 99%
    • 2-(|A-D-Glucopyranosyloxy)benzaldehyde
    • SCHEMBL987304
    • Salicylaldehyde-|A-D-glucoside
    • orb1301705
    • CHEMBL2289230
    • HY-N7060
    • s4965
    • STL525337
    • AKOS024307553
    • CCG-267288
    • EBC-617476
    • MF05651
    • 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde
    • 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde
    • AS-76118
    • SY076508
    • CS-0082146
    • H0908
    • NS00042243
    • ST50330546
    • T72715
    • 618H655
    • 8E03EFBD-8037-4DFA-9E23-BD9FDD375EC2
    • Q15411001
    • 2-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropy ran-2-yloxy]benzaldehyde
    • 618-65-5

  • Applications

    Helicin (CAS 618-65-5) is viewed as a fragrance ingredient and potential odorant in perfumery and cosmetics, with potential use as a scent component in household and cleaning products; it has also been evaluated as an intermediate or processing aid in industrial manufacturing and polymer systems; it may serve as a solvent or additive in coatings, resins, and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.2
    methanol 22.52
    isopropanol 1.99
    water 30.64
    ethyl acetate 0.39
    n-propanol 2.26
    acetone 2.08
    n-butanol 1.92
    acetonitrile 0.84
    DMF 79.46
    toluene 0.79
    isobutanol 0.85
    1,4-dioxane 5.74
    methyl acetate 0.76
    THF 8.81
    2-butanone 1.02
    n-pentanol 0.71
    sec-butanol 1.37
    n-hexane 0.06
    ethylene glycol 76.05
    NMP 52.17
    cyclohexane 0.59
    DMSO 310.95
    n-butyl acetate 0.52
    n-octanol 1.52
    chloroform 0.18
    n-propyl acetate 0.45
    acetic acid 41.6
    dichloromethane 0.17
    cyclohexanone 4.12
    propylene glycol 25.68
    isopropyl acetate 0.54
    DMAc 83.28
    2-ethoxyethanol 19.68
    isopentanol 1.62
    n-heptane 0.34
    ethyl formate 1.37
    1,2-dichloroethane 0.42
    n-hexanol 1.33
    2-methoxyethanol 66.15
    isobutyl acetate 0.25
    tetrachloromethane 0.13
    n-pentyl acetate 0.8
    transcutol 45.94
    n-heptanol 2.03
    ethylbenzene 0.37
    MIBK 1.12
    2-propoxyethanol 12.11
    tert-butanol 3.25
    MTBE 0.61
    2-butoxyethanol 8.51
    propionic acid 5.6
    o-xylene 1.01
    formic acid 228.92
    diethyl ether 0.54
    m-xylene 0.79
    p-xylene 0.35
    chlorobenzene 0.24
    dimethyl carbonate 4.93
    n-octane 0.2
    formamide 219.03
    cyclopentanone 6.54
    2-pentanone 0.97
    anisole 1.21
    cyclopentyl methyl ether 2.83
    gamma-butyrolactone 10.25
    1-methoxy-2-propanol 28.08
    pyridine 3.27
    3-pentanone 0.94
    furfural 14.65
    n-dodecane 0.13
    diethylene glycol 42.17
    diisopropyl ether 0.32
    tert-amyl alcohol 2.31
    acetylacetone 3.97
    n-hexadecane 0.14
    acetophenone 2.48
    methyl propionate 1.45
    isopentyl acetate 0.66
    trichloroethylene 0.78
    n-nonanol 1.67
    cyclohexanol 4.11
    benzyl alcohol 3.02
    2-ethylhexanol 0.96
    isooctanol 1.59
    dipropyl ether 1.23
    1,2-dichlorobenzene 0.36
    ethyl lactate 4.69
    propylene carbonate 4.16
    n-methylformamide 32.08
    2-pentanol 1.05
    n-pentane 0.13
    1-propoxy-2-propanol 7.17
    1-methoxy-2-propyl acetate 3.46
    2-(2-methoxypropoxy) propanol 12.37
    mesitylene 0.62
    ε-caprolactone 4.15
    p-cymene 0.6
    epichlorohydrin 4.17
    1,1,1-trichloroethane 0.15
    2-aminoethanol 40.17
    morpholine-4-carbaldehyde 46.25
    sulfolane 45.03
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 2.29
    n-hexyl acetate 1.27
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 16.66
    sec-butyl acetate 0.34
    tert-butyl acetate 1.45
    decalin 0.13
    glycerin 106.72
    diglyme 26.83
    acrylic acid 14.22
    isopropyl myristate 0.84
    n-butyric acid 3.6
    acetyl acetate 1.13
    di(2-ethylhexyl) phthalate 1.85
    ethyl propionate 0.63
    nitromethane 29.22
    1,2-diethoxyethane 2.65
    benzonitrile 1.01
    trioctyl phosphate 1.54
    1-bromopropane 0.15
    gamma-valerolactone 18.57
    n-decanol 1.37
    triethyl phosphate 1.72
    4-methyl-2-pentanol 0.93
    propionitrile 0.65
    vinylene carbonate 4.01
    1,1,2-trichlorotrifluoroethane 26.48
    DMS 2.25
    cumene 0.32
    2-octanol 1.0
    2-hexanone 0.52
    octyl acetate 1.23
    limonene 0.9
    1,2-dimethoxyethane 13.12
    ethyl orthosilicate 1.48
    tributyl phosphate 1.41
    diacetone alcohol 8.51
    N,N-dimethylaniline 1.86
    acrylonitrile 1.88
    aniline 2.44
    1,3-propanediol 34.22
    bromobenzene 0.16
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.99
    2-methyl-cyclohexyl acetate 1.46
    tetrabutyl urea 3.14
    diisobutyl methanol 1.02
    2-phenylethanol 2.85
    styrene 0.35
    dioctyl adipate 2.14
    dimethyl sulfate 16.38
    ethyl butyrate 0.94
    methyl lactate 16.59
    butyl lactate 3.2
    diethyl carbonate 0.97
    propanediol butyl ether 11.82
    triethyl orthoformate 1.58
    p-tert-butyltoluene 0.64
    methyl 4-tert-butylbenzoate 5.96
    morpholine 10.61
    tert-butylamine 1.11
    n-dodecanol 1.13
    dimethoxymethane 16.18
    ethylene carbonate 2.7
    cyrene 19.17
    2-ethoxyethyl acetate 1.96
    2-ethylhexyl acetate 0.47
    1,2,4-trichlorobenzene 0.64
    4-methylpyridine 1.63
    dibutyl ether 0.83
    2,6-dimethyl-4-heptanol 1.02
    DEF 6.82
    dimethyl isosorbide 17.4
    tetrachloroethylene 1.09
    eugenol 6.93
    triacetin 4.28
    span 80 9.62
    1,4-butanediol 9.87
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.74
    methyl formate 16.87
    2-methyl-1-butanol 1.29
    n-decane 0.21
    butyronitrile 0.51
    3,7-dimethyl-1-octanol 1.33
    1-chlorooctane 0.39
    1-chlorotetradecane 0.24
    n-nonane 0.19
    undecane 0.16
    tert-butylcyclohexane 0.07
    cyclooctane 0.32
    cyclopentanol 3.74
    tetrahydropyran 2.14
    tert-amyl methyl ether 0.98
    2,5,8-trioxanonane 24.46
    1-hexene 0.12
    2-isopropoxyethanol 6.27
    2,2,2-trifluoroethanol 27.16
    methyl butyrate 0.94

    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