Lavandulifolioside

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  • Identifiers

    CAS number
    117895-00-8

    Molecular formula
    C34H44O19

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.78%
    Vanilla 28.04%
    Savory 23.48%
    Sweet 22.19%
    Milky 21.47%
    Spicy 16.53%
    Burnt 16.4%
    Bitter 16.3%
    Balsamic 16.05%
    Phenolic 16.0%

     

    Flavor
    Bitter 70.19%
    Odorless 39.59%
    Bland 33.81%
    Sweet-like 29.33%
    Very mild 21.91%
    Cedarleaf 20.06%
    Very slight 19.51%
    Parsley 19.27%
    Cauliflower 19.18%
    Eugenol 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.0

    pKa est.
    6.33 (neutral)

    Molecular weight
    756.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5931°C

    Flash point

    • 234.8 ˚C est.

  • Synonyms

    • lavandulifolioside
    • DTXSID001315824
    • RefChem:924568
    • DTXCID801745710
    • 117895-00-8
    • ((2R,3R,4R,5R,6R)-4-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-2-(hydroxymethyl)oxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 3,4-dihydroxy,beta-phenylethoxy-O-beta-D-arabinopyranosyl-(1-2)-alpha-L-rhamnopyranosyl-(1-3)-4-O-beta-caffeoyl-beta-D-glucopyranoside
    • CHEMBL436809
    • SCHEMBL30432193
    • 117895-00-8

  • Applications

    Lavandulifolioside (CAS 117895-00-8) is a lavender-derived glycoside primarily of interest as a fragrance precursor and a botanical extract component in industrial applications. In perfumery and flavor sectors, it may function as a glycoside that releases lavender-like aroma upon hydrolysis or enzymatic processing, contributing to controlled fragrance release. In cosmetics and personal care, it is evaluated as a natural-origin ingredient with potential antioxidant activity and as part of lavender-derived formulation systems. In analytical and quality-control workflows, Lavandulifolioside can be used as a reference standard for Lavandula extracts. In research and development settings, it is regarded as a representative lavender glycoside for phytochemical profiling and quality assessment, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.94
    methanol 33.53
    isopropanol 4.07
    water 0.98
    ethyl acetate 4.37
    n-propanol 7.13
    acetone 12.55
    n-butanol 4.3
    acetonitrile 2.73
    DMF 66.37
    toluene 0.76
    isobutanol 2.03
    1,4-dioxane 21.02
    methyl acetate 5.89
    THF 43.25
    2-butanone 7.59
    n-pentanol 1.82
    sec-butanol 3.16
    n-hexane 0.03
    ethylene glycol 22.79
    NMP 53.61
    cyclohexane 0.09
    DMSO 165.97
    n-butyl acetate 0.64
    n-octanol 1.67
    chloroform 1.76
    n-propyl acetate 0.97
    acetic acid 48.7
    dichloromethane 2.27
    cyclohexanone 8.26
    propylene glycol 23.94
    isopropyl acetate 1.89
    DMAc 61.76
    2-ethoxyethanol 24.27
    isopentanol 1.51
    n-heptane 0.09
    ethyl formate 5.28
    1,2-dichloroethane 1.73
    n-hexanol 0.83
    2-methoxyethanol 73.66
    isobutyl acetate 0.3
    tetrachloromethane 0.26
    n-pentyl acetate 1.82
    transcutol 29.06
    n-heptanol 1.63
    ethylbenzene 0.18
    MIBK 1.42
    2-propoxyethanol 11.16
    tert-butanol 1.86
    MTBE 1.16
    2-butoxyethanol 8.29
    propionic acid 9.36
    o-xylene 0.44
    formic acid 68.79
    diethyl ether 2.83
    m-xylene 0.39
    p-xylene 0.16
    chlorobenzene 0.38
    dimethyl carbonate 9.68
    n-octane 0.08
    formamide 57.99
    cyclopentanone 19.88
    2-pentanone 5.51
    anisole 1.2
    cyclopentyl methyl ether 5.1
    gamma-butyrolactone 23.99
    1-methoxy-2-propanol 38.05
    pyridine 7.52
    3-pentanone 3.44
    furfural 19.12
    n-dodecane 0.05
    diethylene glycol 19.38
    diisopropyl ether 0.3
    tert-amyl alcohol 1.8
    acetylacetone 11.41
    n-hexadecane 0.06
    acetophenone 1.55
    methyl propionate 7.88
    isopentyl acetate 0.4
    trichloroethylene 3.35
    n-nonanol 1.66
    cyclohexanol 2.58
    benzyl alcohol 2.44
    2-ethylhexanol 0.35
    isooctanol 0.84
    dipropyl ether 1.16
    1,2-dichlorobenzene 0.33
    ethyl lactate 2.98
    propylene carbonate 4.71
    n-methylformamide 34.09
    2-pentanol 1.76
    n-pentane 0.07
    1-propoxy-2-propanol 6.03
    1-methoxy-2-propyl acetate 3.11
    2-(2-methoxypropoxy) propanol 5.95
    mesitylene 0.19
    ε-caprolactone 8.29
    p-cymene 0.13
    epichlorohydrin 17.52
    1,1,1-trichloroethane 0.47
    2-aminoethanol 22.25
    morpholine-4-carbaldehyde 59.23
    sulfolane 48.77
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.95
    n-hexyl acetate 2.0
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.05
    sec-butyl acetate 0.52
    tert-butyl acetate 1.48
    decalin 0.02
    glycerin 61.93
    diglyme 18.8
    acrylic acid 15.9
    isopropyl myristate 0.62
    n-butyric acid 8.7
    acetyl acetate 3.07
    di(2-ethylhexyl) phthalate 0.85
    ethyl propionate 1.28
    nitromethane 58.79
    1,2-diethoxyethane 3.68
    benzonitrile 0.86
    trioctyl phosphate 0.82
    1-bromopropane 0.62
    gamma-valerolactone 52.82
    n-decanol 1.05
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.53
    propionitrile 1.67
    vinylene carbonate 5.26
    1,1,2-trichlorotrifluoroethane 29.37
    DMS 2.27
    cumene 0.09
    2-octanol 0.97
    2-hexanone 1.25
    octyl acetate 1.28
    limonene 0.23
    1,2-dimethoxyethane 16.61
    ethyl orthosilicate 0.52
    tributyl phosphate 0.6
    diacetone alcohol 6.63
    N,N-dimethylaniline 0.93
    acrylonitrile 3.59
    aniline 2.42
    1,3-propanediol 25.58
    bromobenzene 0.25
    dibromomethane 0.85
    1,1,2,2-tetrachloroethane 3.17
    2-methyl-cyclohexyl acetate 0.47
    tetrabutyl urea 1.35
    diisobutyl methanol 0.22
    2-phenylethanol 1.17
    styrene 0.23
    dioctyl adipate 1.36
    dimethyl sulfate 20.65
    ethyl butyrate 0.78
    methyl lactate 17.74
    butyl lactate 3.16
    diethyl carbonate 0.48
    propanediol butyl ether 11.92
    triethyl orthoformate 0.9
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 3.03
    morpholine 29.09
    tert-butylamine 0.45
    n-dodecanol 0.65
    dimethoxymethane 39.72
    ethylene carbonate 3.8
    cyrene 10.92
    2-ethoxyethyl acetate 4.84
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.57
    4-methylpyridine 3.59
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 0.22
    DEF 10.69
    dimethyl isosorbide 6.89
    tetrachloroethylene 2.05
    eugenol 3.3
    triacetin 4.11
    span 80 6.62
    1,4-butanediol 7.23
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.77
    methyl formate 27.56
    2-methyl-1-butanol 1.74
    n-decane 0.11
    butyronitrile 1.4
    3,7-dimethyl-1-octanol 0.58
    1-chlorooctane 0.39
    1-chlorotetradecane 0.13
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 5.11
    tetrahydropyran 6.61
    tert-amyl methyl ether 1.43
    2,5,8-trioxanonane 13.41
    1-hexene 0.12
    2-isopropoxyethanol 7.03
    2,2,2-trifluoroethanol 17.14
    methyl butyrate 1.7

    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