Sambacolignoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    114449-12-6

    Molecular formula
    C43H54O22

    SMILES
    C/C=C/1\[C@H](C(=CO[C@@H]1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)O[C@@]45CO[C@H]([C@@H]4CO[C@H]5C6=CC(=C(C=C6)O)OC)C7=CC(=C(C=C7)O)OC)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.19%
    Vanilla 36.61%
    Sweet 31.37%
    Milky 24.66%
    Creamy 20.61%
    Savory 19.74%
    Spicy 19.13%
    Cooling 17.16%
    Dairy 17.15%
    Caramellic 16.4%

     

    Flavor
    Bitter 82.67%
    Bland 33.34%
    Odorless 26.82%
    Sweet-like 26.51%
    Cedarleaf 20.76%
    Parsley 20.02%
    Lovage 19.46%
    Fatty 19.38%
    Very mild 18.94%
    Ripe apricot 18.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    5.1 (weak acid)

    Molecular weight
    922.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5726°C

    Flash point

    • 229.62 ˚C est.

  • Synonyms

    • Sambacolignoside
    • 114449-12-6
    • Methyl (4R,5E,6R)-4-[2-[[(2S,3R,4R,5S,6R)-6-[[(3S,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
    • 114449-12-6

  • Applications

    Sambacolignoside (CAS 114449-12-6) is a natural glycoside that is commonly evaluated for a range of industrial applications. It may serve as an intermediate for the synthesis of fragrance and flavor compounds; it may be used in cosmetics and personal care as a botanical-derived ingredient or formulation carrier; it may appear in cleaning and household products to provide fragrance; it can act as a building block in pharmaceutical synthesis; and it is being explored for agricultural formulations as a plant-based ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.9
    methanol 12.27
    isopropanol 0.44
    water 0.2
    ethyl acetate 2.48
    n-propanol 1.17
    acetone 1.56
    n-butanol 0.95
    acetonitrile 1.08
    DMF 45.88
    toluene 0.4
    isobutanol 0.5
    1,4-dioxane 5.36
    methyl acetate 3.27
    THF 8.23
    2-butanone 2.08
    n-pentanol 0.41
    sec-butanol 0.6
    n-hexane 0.01
    ethylene glycol 5.41
    NMP 57.35
    cyclohexane 0.02
    DMSO 18.65
    n-butyl acetate 0.54
    n-octanol 0.64
    chloroform 4.62
    n-propyl acetate 0.67
    acetic acid 20.97
    dichloromethane 4.37
    cyclohexanone 3.54
    propylene glycol 5.86
    isopropyl acetate 1.1
    DMAc 40.66
    2-ethoxyethanol 6.81
    isopentanol 0.49
    n-heptane 0.02
    ethyl formate 3.45
    1,2-dichloroethane 1.52
    n-hexanol 0.29
    2-methoxyethanol 26.12
    isobutyl acetate 0.25
    tetrachloromethane 0.33
    n-pentyl acetate 1.27
    transcutol 13.88
    n-heptanol 0.68
    ethylbenzene 0.11
    MIBK 0.68
    2-propoxyethanol 5.86
    tert-butanol 0.38
    MTBE 0.38
    2-butoxyethanol 5.43
    propionic acid 4.88
    o-xylene 0.29
    formic acid 51.2
    diethyl ether 0.68
    m-xylene 0.26
    p-xylene 0.11
    chlorobenzene 0.52
    dimethyl carbonate 10.13
    n-octane 0.02
    formamide 32.75
    cyclopentanone 7.98
    2-pentanone 1.61
    anisole 0.8
    cyclopentyl methyl ether 2.12
    gamma-butyrolactone 17.24
    1-methoxy-2-propanol 13.94
    pyridine 3.88
    3-pentanone 1.56
    furfural 23.35
    n-dodecane 0.02
    diethylene glycol 10.49
    diisopropyl ether 0.12
    tert-amyl alcohol 0.52
    acetylacetone 5.11
    n-hexadecane 0.02
    acetophenone 1.29
    methyl propionate 4.99
    isopentyl acetate 0.42
    trichloroethylene 7.04
    n-nonanol 0.67
    cyclohexanol 0.74
    benzyl alcohol 1.29
    2-ethylhexanol 0.19
    isooctanol 0.41
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.67
    ethyl lactate 2.43
    propylene carbonate 6.38
    n-methylformamide 22.45
    2-pentanol 0.44
    n-pentane 0.02
    1-propoxy-2-propanol 3.19
    1-methoxy-2-propyl acetate 3.07
    2-(2-methoxypropoxy) propanol 4.37
    mesitylene 0.12
    ε-caprolactone 5.95
    p-cymene 0.11
    epichlorohydrin 12.33
    1,1,1-trichloroethane 0.64
    2-aminoethanol 5.52
    morpholine-4-carbaldehyde 50.51
    sulfolane 30.02
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.07
    n-hexyl acetate 1.33
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.23
    sec-butyl acetate 0.38
    tert-butyl acetate 0.88
    decalin 0.01
    glycerin 28.14
    diglyme 13.74
    acrylic acid 12.14
    isopropyl myristate 0.32
    n-butyric acid 5.12
    acetyl acetate 2.78
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 1.08
    nitromethane 39.46
    1,2-diethoxyethane 1.6
    benzonitrile 0.82
    trioctyl phosphate 0.52
    1-bromopropane 0.37
    gamma-valerolactone 34.63
    n-decanol 0.38
    triethyl phosphate 0.67
    4-methyl-2-pentanol 0.23
    propionitrile 0.94
    vinylene carbonate 9.51
    1,1,2-trichlorotrifluoroethane 36.55
    DMS 2.61
    cumene 0.06
    2-octanol 0.37
    2-hexanone 0.46
    octyl acetate 0.67
    limonene 0.16
    1,2-dimethoxyethane 6.72
    ethyl orthosilicate 0.58
    tributyl phosphate 0.47
    diacetone alcohol 3.14
    N,N-dimethylaniline 0.62
    acrylonitrile 2.9
    aniline 1.25
    1,3-propanediol 6.32
    bromobenzene 0.43
    dibromomethane 1.2
    1,1,2,2-tetrachloroethane 4.54
    2-methyl-cyclohexyl acetate 0.45
    tetrabutyl urea 0.85
    diisobutyl methanol 0.14
    2-phenylethanol 0.76
    styrene 0.14
    dioctyl adipate 0.8
    dimethyl sulfate 23.14
    ethyl butyrate 0.7
    methyl lactate 15.84
    butyl lactate 2.62
    diethyl carbonate 0.58
    propanediol butyl ether 6.62
    triethyl orthoformate 0.88
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.92
    morpholine 7.79
    tert-butylamine 0.11
    n-dodecanol 0.22
    dimethoxymethane 20.19
    ethylene carbonate 4.95
    cyrene 8.62
    2-ethoxyethyl acetate 4.11
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 1.07
    4-methylpyridine 2.41
    dibutyl ether 0.35
    2,6-dimethyl-4-heptanol 0.14
    DEF 6.54
    dimethyl isosorbide 6.34
    tetrachloroethylene 3.19
    eugenol 3.28
    triacetin 4.16
    span 80 4.16
    1,4-butanediol 1.72
    1,1-dichloroethane 0.73
    2-methyl-1-pentanol 0.29
    methyl formate 19.59
    2-methyl-1-butanol 0.61
    n-decane 0.03
    butyronitrile 0.66
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.18
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.32
    tetrahydropyran 1.4
    tert-amyl methyl ether 0.59
    2,5,8-trioxanonane 8.44
    1-hexene 0.03
    2-isopropoxyethanol 2.31
    2,2,2-trifluoroethanol 13.65
    methyl butyrate 1.42

    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