3-Cyclohexene-1-propanoic acid, 2-(2-((1S,4aR,6S,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-(beta-D-xylopyranosyloxy)-1-naphthalenyl)ethyl)-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    87453-35-8

    Molecular formula
    C35H56O7

    SMILES
    CC1=CCC(C(C1CCC2C(=C)CCC3C2(CCC(C3(C)C)OC4C(C(C(CO4)O)O)O)C)(C)CCC(=O)O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.21%
    Amber 43.64%
    Dry 39.35%
    Spicy 36.7%
    Sweet 36.59%
    Sandalwood 35.87%
    Balsamic 35.03%
    Cedar 33.71%
    Musk 30.37%
    Warm 26.79%

     

    Flavor
    Woody 46.07%
    Bitter 35.06%
    Herbal 29.65%
    Balsam 27.14%
    Pine 25.53%
    Fresh 24.31%
    Wood 24.21%
    Minty 23.89%
    Spice 22.63%
    Cedarleaf 21.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    4.93 (weak acid)

    Molecular weight
    588.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    241°C

    Melting point expt.

    • 124.5 - 126 °C

    Flash point

    • 239.72 ˚C est.

  • Synonyms

    • 87453-35-8
    • 3-Cyclohexene-1-propanoic acid, 2-(2-((1S,4aR,6S,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-(beta-D-xylopyranosyloxy)-1-naphthalenyl)ethyl)-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)-
    • 3-Cyclohexene-1-propanoic acid, 2-[2-[(1S,4aR,6S,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-(beta-D-xylopyranosyloxy)-1-naphthalenyl]ethyl]-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)-
    • RefChem:278776
    • Lansioside C
    • SCHEMBL29934925
    • CHEBI:189934
    • DTXSID301098673
    • 3-[2-[2-[5,5,8a-trimethyl-2-methylidene-6-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
    • 3-Cyclohexene-1-propanoic acid, 2-[2-[(1S,4aR,6S,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-(I(2)-D-xylopyranosyloxy)-1-naphthalenyl]ethyl]-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)-
    • 87453-35-8

  • Applications

    CAS 87453-35-8, the chemical name: 3-Cyclohexene-1-propanoic acid, 2-(2-((1S,4aR,6S,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-(beta-D-xylopyranosyloxy)-1-naphthalenyl)ethyl)-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)-, is a complex terpenoid glycoside. In real-world use, applications typically include: 1) fragrance and perfume intermediates; 2) cosmetics/personal care ingredients; 3) evaluated as a stereochemical building block or synthetic intermediate for pharmaceutical development; 4) a potential precursor for terpenoid-based agrochemical products; and 5) potential use as a functional monomer or crosslinker in polymers or coatings due to vinyl and isopropenyl functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.93
    methanol 34.0
    isopropanol 3.92
    water 0.03
    ethyl acetate 5.41
    n-propanol 11.2
    acetone 6.32
    n-butanol 6.41
    acetonitrile 1.2
    DMF 44.27
    toluene 2.16
    isobutanol 4.12
    1,4-dioxane 19.35
    methyl acetate 4.74
    THF 54.25
    2-butanone 7.11
    n-pentanol 3.87
    sec-butanol 3.55
    n-hexane 0.11
    ethylene glycol 3.15
    NMP 51.92
    cyclohexane 0.14
    DMSO 31.19
    n-butyl acetate 2.7
    n-octanol 2.27
    chloroform 11.77
    n-propyl acetate 2.47
    acetic acid 26.39
    dichloromethane 9.05
    cyclohexanone 10.01
    propylene glycol 7.11
    isopropyl acetate 3.68
    DMAc 45.87
    2-ethoxyethanol 24.04
    isopentanol 3.34
    n-heptane 0.13
    ethyl formate 4.73
    1,2-dichloroethane 4.74
    n-hexanol 3.56
    2-methoxyethanol 53.5
    isobutyl acetate 1.57
    tetrachloromethane 1.42
    n-pentyl acetate 4.85
    transcutol 50.97
    n-heptanol 3.65
    ethylbenzene 0.81
    MIBK 3.37
    2-propoxyethanol 33.06
    tert-butanol 2.47
    MTBE 2.59
    2-butoxyethanol 21.88
    propionic acid 8.02
    o-xylene 1.37
    formic acid 18.31
    diethyl ether 4.13
    m-xylene 1.48
    p-xylene 0.68
    chlorobenzene 2.08
    dimethyl carbonate 7.09
    n-octane 0.06
    formamide 16.04
    cyclopentanone 19.49
    2-pentanone 6.14
    anisole 3.63
    cyclopentyl methyl ether 10.02
    gamma-butyrolactone 24.34
    1-methoxy-2-propanol 34.56
    pyridine 10.21
    3-pentanone 4.66
    furfural 20.62
    n-dodecane 0.03
    diethylene glycol 19.6
    diisopropyl ether 0.75
    tert-amyl alcohol 2.9
    acetylacetone 8.64
    n-hexadecane 0.03
    acetophenone 4.13
    methyl propionate 7.99
    isopentyl acetate 2.74
    trichloroethylene 13.73
    n-nonanol 2.44
    cyclohexanol 3.11
    benzyl alcohol 4.87
    2-ethylhexanol 1.35
    isooctanol 2.4
    dipropyl ether 2.4
    1,2-dichlorobenzene 2.08
    ethyl lactate 3.81
    propylene carbonate 8.16
    n-methylformamide 21.91
    2-pentanol 2.37
    n-pentane 0.16
    1-propoxy-2-propanol 14.91
    1-methoxy-2-propyl acetate 10.03
    2-(2-methoxypropoxy) propanol 11.65
    mesitylene 0.69
    ε-caprolactone 13.59
    p-cymene 0.59
    epichlorohydrin 32.74
    1,1,1-trichloroethane 2.59
    2-aminoethanol 11.83
    morpholine-4-carbaldehyde 56.96
    sulfolane 38.97
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 11.6
    n-hexyl acetate 5.42
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 20.07
    sec-butyl acetate 1.72
    tert-butyl acetate 4.04
    decalin 0.1
    glycerin 17.15
    diglyme 38.58
    acrylic acid 9.79
    isopropyl myristate 0.94
    n-butyric acid 11.54
    acetyl acetate 4.0
    di(2-ethylhexyl) phthalate 2.35
    ethyl propionate 2.75
    nitromethane 22.57
    1,2-diethoxyethane 6.03
    benzonitrile 1.69
    trioctyl phosphate 1.59
    1-bromopropane 2.12
    gamma-valerolactone 53.48
    n-decanol 1.12
    triethyl phosphate 1.73
    4-methyl-2-pentanol 1.4
    propionitrile 1.7
    vinylene carbonate 8.64
    1,1,2-trichlorotrifluoroethane 36.52
    DMS 4.5
    cumene 0.55
    2-octanol 1.4
    2-hexanone 2.87
    octyl acetate 1.88
    limonene 0.83
    1,2-dimethoxyethane 22.21
    ethyl orthosilicate 1.83
    tributyl phosphate 1.28
    diacetone alcohol 8.77
    N,N-dimethylaniline 2.78
    acrylonitrile 2.88
    aniline 4.21
    1,3-propanediol 16.9
    bromobenzene 1.71
    dibromomethane 4.59
    1,1,2,2-tetrachloroethane 9.92
    2-methyl-cyclohexyl acetate 2.59
    tetrabutyl urea 2.09
    diisobutyl methanol 0.7
    2-phenylethanol 4.75
    styrene 0.83
    dioctyl adipate 2.43
    dimethyl sulfate 14.47
    ethyl butyrate 2.51
    methyl lactate 12.67
    butyl lactate 6.9
    diethyl carbonate 1.39
    propanediol butyl ether 16.0
    triethyl orthoformate 2.98
    p-tert-butyltoluene 0.64
    methyl 4-tert-butylbenzoate 8.46
    morpholine 31.42
    tert-butylamine 0.86
    n-dodecanol 0.52
    dimethoxymethane 38.54
    ethylene carbonate 6.14
    cyrene 16.0
    2-ethoxyethyl acetate 12.85
    2-ethylhexyl acetate 1.89
    1,2,4-trichlorobenzene 3.57
    4-methylpyridine 6.45
    dibutyl ether 1.14
    2,6-dimethyl-4-heptanol 0.7
    DEF 10.47
    dimethyl isosorbide 19.29
    tetrachloroethylene 7.55
    eugenol 9.35
    triacetin 8.23
    span 80 11.11
    1,4-butanediol 4.56
    1,1-dichloroethane 2.91
    2-methyl-1-pentanol 2.39
    methyl formate 13.11
    2-methyl-1-butanol 3.82
    n-decane 0.08
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 1.5
    1-chlorooctane 0.61
    1-chlorotetradecane 0.11
    n-nonane 0.07
    undecane 0.04
    tert-butylcyclohexane 0.09
    cyclooctane 0.08
    cyclopentanol 5.25
    tetrahydropyran 8.86
    tert-amyl methyl ether 2.65
    2,5,8-trioxanonane 20.63
    1-hexene 0.48
    2-isopropoxyethanol 10.54
    2,2,2-trifluoroethanol 8.07
    methyl butyrate 3.58

    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