[(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-I+/--L-arabinofuranosyl-I(2)-D-glucopyranoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    138614-60-5

    Molecular formula
    C31H52O12

    SMILES
    CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)COC4C(C(C(O4)CO)O)O)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.75%
    Sweet 37.64%
    Woody 34.85%
    Spicy 27.12%
    Mint 25.93%
    Cooling 25.42%
    Warm 22.82%
    Amber 22.26%
    Sandalwood 21.39%
    Balsamic 21.32%

     

    Flavor
    Bitter 53.84%
    Sweet 33.43%
    Fatty 31.25%
    Odorless 30.71%
    Sweet-like 25.99%
    Cedarleaf 21.55%
    Bland 21.35%
    Mentholic 20.74%
    Clary 20.65%
    Cauliflower 20.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.19 (weak acid)

    Molecular weight
    616.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    3508°C

    Flash point

    • 246.54 ˚C est.

  • Synonyms

    • DTXSID601099020
    • [(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-I+/--L-arabinofuranosyl-I(2)-D-glucopyranoside
    • 138614-60-5
    • 138614-60-5

  • Applications

    Compound [(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-I+/--L-arabinofuranosyl-I(2)-D-glucopyranoside, CAS 138614-60-5, is a glycosylated natural-product–type molecule primarily evaluated as a synthetic intermediate and building block for glycosylated derivatives in pharmaceutical and agrochemical research. It may also be explored as a fragrance precursor or flavor modifier in fragrance and flavor chemistry; in cosmetics/personal care, it can serve as a specialty glycoside-derived scaffold for formulation development; in medicinal chemistry, it supports library generation and lead-structure studies as a chiral building block; and in analytical and materials science, it may be used in small-scale synthetic studies as a versatile building block for concept validation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.1
    methanol 14.62
    isopropanol 0.26
    water 0.12
    ethyl acetate 0.59
    n-propanol 0.69
    acetone 1.33
    n-butanol 0.41
    acetonitrile 0.4
    DMF 14.7
    toluene 0.14
    isobutanol 0.25
    1,4-dioxane 3.23
    methyl acetate 0.64
    THF 5.79
    2-butanone 0.85
    n-pentanol 0.27
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 2.34
    NMP 17.47
    cyclohexane 0.01
    DMSO 20.62
    n-butyl acetate 0.24
    n-octanol 0.43
    chloroform 0.87
    n-propyl acetate 0.28
    acetic acid 10.47
    dichloromethane 0.91
    cyclohexanone 1.53
    propylene glycol 1.84
    isopropyl acetate 0.38
    DMAc 13.38
    2-ethoxyethanol 4.74
    isopentanol 0.23
    n-heptane 0.01
    ethyl formate 0.85
    1,2-dichloroethane 0.45
    n-hexanol 0.22
    2-methoxyethanol 13.03
    isobutyl acetate 0.16
    tetrachloromethane 0.12
    n-pentyl acetate 0.75
    transcutol 13.14
    n-heptanol 0.5
    ethylbenzene 0.06
    MIBK 0.41
    2-propoxyethanol 4.02
    tert-butanol 0.18
    MTBE 0.17
    2-butoxyethanol 3.96
    propionic acid 1.16
    o-xylene 0.12
    formic acid 23.9
    diethyl ether 0.32
    m-xylene 0.13
    p-xylene 0.06
    chlorobenzene 0.17
    dimethyl carbonate 1.62
    n-octane 0.01
    formamide 13.79
    cyclopentanone 3.2
    2-pentanone 0.72
    anisole 0.45
    cyclopentyl methyl ether 0.87
    gamma-butyrolactone 4.38
    1-methoxy-2-propanol 5.21
    pyridine 1.55
    3-pentanone 0.56
    furfural 6.81
    n-dodecane 0.01
    diethylene glycol 5.69
    diisopropyl ether 0.06
    tert-amyl alcohol 0.19
    acetylacetone 2.3
    n-hexadecane 0.01
    acetophenone 0.69
    methyl propionate 1.02
    isopentyl acetate 0.24
    trichloroethylene 1.5
    n-nonanol 0.46
    cyclohexanol 0.25
    benzyl alcohol 0.7
    2-ethylhexanol 0.12
    isooctanol 0.32
    dipropyl ether 0.26
    1,2-dichlorobenzene 0.21
    ethyl lactate 0.79
    propylene carbonate 1.47
    n-methylformamide 6.95
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 1.75
    1-methoxy-2-propyl acetate 1.43
    2-(2-methoxypropoxy) propanol 2.89
    mesitylene 0.07
    ε-caprolactone 1.97
    p-cymene 0.07
    epichlorohydrin 4.7
    1,1,1-trichloroethane 0.18
    2-aminoethanol 3.03
    morpholine-4-carbaldehyde 19.25
    sulfolane 13.17
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.96
    n-hexyl acetate 0.85
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.13
    sec-butyl acetate 0.17
    tert-butyl acetate 0.47
    decalin 0.01
    glycerin 9.11
    diglyme 10.5
    acrylic acid 2.75
    isopropyl myristate 0.18
    n-butyric acid 1.27
    acetyl acetate 0.82
    di(2-ethylhexyl) phthalate 0.47
    ethyl propionate 0.32
    nitromethane 12.41
    1,2-diethoxyethane 1.01
    benzonitrile 0.34
    trioctyl phosphate 0.31
    1-bromopropane 0.11
    gamma-valerolactone 14.94
    n-decanol 0.24
    triethyl phosphate 0.27
    4-methyl-2-pentanol 0.1
    propionitrile 0.24
    vinylene carbonate 1.93
    1,1,2-trichlorotrifluoroethane 11.2
    DMS 0.78
    cumene 0.05
    2-octanol 0.23
    2-hexanone 0.35
    octyl acetate 0.38
    limonene 0.1
    1,2-dimethoxyethane 4.59
    ethyl orthosilicate 0.26
    tributyl phosphate 0.25
    diacetone alcohol 1.6
    N,N-dimethylaniline 0.39
    acrylonitrile 0.64
    aniline 0.4
    1,3-propanediol 2.83
    bromobenzene 0.13
    dibromomethane 0.33
    1,1,2,2-tetrachloroethane 0.96
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.46
    diisobutyl methanol 0.08
    2-phenylethanol 0.58
    styrene 0.07
    dioctyl adipate 0.51
    dimethyl sulfate 4.77
    ethyl butyrate 0.3
    methyl lactate 3.06
    butyl lactate 1.23
    diethyl carbonate 0.18
    propanediol butyl ether 4.5
    triethyl orthoformate 0.39
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.83
    morpholine 4.11
    tert-butylamine 0.05
    n-dodecanol 0.13
    dimethoxymethane 7.99
    ethylene carbonate 1.07
    cyrene 5.65
    2-ethoxyethyl acetate 2.28
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.32
    4-methylpyridine 0.77
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.08
    DEF 1.93
    dimethyl isosorbide 4.88
    tetrachloroethylene 0.86
    eugenol 2.2
    triacetin 2.1
    span 80 2.64
    1,4-butanediol 0.86
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 0.19
    methyl formate 5.61
    2-methyl-1-butanol 0.25
    n-decane 0.02
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.1
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.42
    tetrahydropyran 0.76
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 6.81
    1-hexene 0.02
    2-isopropoxyethanol 1.65
    2,2,2-trifluoroethanol 4.0
    methyl butyrate 0.46

    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