(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    292167-34-1

    Molecular formula
    C31H52O7

    SMILES
    C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O)O)O)C)C)[C@@H](C[C@@](CO)(C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.45%
    Odorless 40.34%
    Amber 39.98%
    Sandalwood 39.06%
    Balsamic 36.71%
    Cooling 33.45%
    Dry 32.99%
    Mint 30.74%
    Cedar 29.99%
    Musk 27.48%

     

    Flavor
    Bitter 45.18%
    Odorless 36.24%
    Sweet 29.53%
    Woody 26.92%
    Mild 24.48%
    Sweet-like 24.25%
    Bland 23.02%
    Cedarleaf 21.86%
    Sandalwood 21.84%
    Fruity 21.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    5.91 (weak acid)

    Molecular weight
    536.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point

    • 245.39 ˚C est.

  • Synonyms

    • DTXSID401117098
    • 292167-34-1
    • (22R,24S)-1alpha,3beta,22,24-Tetrahydroxy-24-(hydroxymethyl)-9beta-9,19-cyclolanostan-28-oic acid
    • 9,19-Cyclolanostan-28-oic acid, 1,3,22,24-tetrahydroxy-24-(hydroxymethyl)-, (1I+/-,3I(2),4I+/-,22R,24S)-
    • 292167-34-1

  • Applications

    The compound (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid (CAS 292167-34-1) is a polycyclic, polyhydroxylated carboxylic acid used primarily as a high-value intermediate and chiral building block in chemical synthesis. In pharmaceutical and fine chemical manufacturing, it may form the starting point or scaffold for the preparation of complex natural-product–like molecules; in agrochemical research, it can be evaluated as an intermediate for targeted compounds; in cosmetics and personal care, there is potential for incorporation as a hydroxy-rich, natural-product–derived scaffold after derivatization; and in polymer and materials science, it may be explored as a specialty monomer or functional additive for niche polymer systems or coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.77
    methanol 20.64
    isopropanol 2.75
    water 0.04
    ethyl acetate 1.86
    n-propanol 4.32
    acetone 5.14
    n-butanol 2.15
    acetonitrile 1.08
    DMF 25.95
    toluene 0.41
    isobutanol 1.66
    1,4-dioxane 10.85
    methyl acetate 2.09
    THF 32.56
    2-butanone 3.58
    n-pentanol 1.56
    sec-butanol 1.2
    n-hexane 0.05
    ethylene glycol 3.87
    NMP 17.14
    cyclohexane 0.05
    DMSO 35.5
    n-butyl acetate 1.56
    n-octanol 0.91
    chloroform 3.06
    n-propyl acetate 1.25
    acetic acid 10.29
    dichloromethane 2.33
    cyclohexanone 5.12
    propylene glycol 4.64
    isopropyl acetate 1.55
    DMAc 20.43
    2-ethoxyethanol 11.35
    isopentanol 1.26
    n-heptane 0.04
    ethyl formate 2.04
    1,2-dichloroethane 1.48
    n-hexanol 1.69
    2-methoxyethanol 26.28
    isobutyl acetate 0.88
    tetrachloromethane 0.53
    n-pentyl acetate 2.33
    transcutol 14.18
    n-heptanol 1.65
    ethylbenzene 0.28
    MIBK 1.94
    2-propoxyethanol 17.32
    tert-butanol 1.72
    MTBE 1.21
    2-butoxyethanol 10.07
    propionic acid 2.9
    o-xylene 0.29
    formic acid 9.56
    diethyl ether 1.8
    m-xylene 0.33
    p-xylene 0.29
    chlorobenzene 0.5
    dimethyl carbonate 2.84
    n-octane 0.03
    formamide 10.19
    cyclopentanone 11.08
    2-pentanone 2.81
    anisole 1.35
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 11.61
    1-methoxy-2-propanol 16.44
    pyridine 4.35
    3-pentanone 1.79
    furfural 8.07
    n-dodecane 0.01
    diethylene glycol 15.79
    diisopropyl ether 0.35
    tert-amyl alcohol 1.11
    acetylacetone 5.04
    n-hexadecane 0.02
    acetophenone 1.76
    methyl propionate 2.63
    isopentyl acetate 1.55
    trichloroethylene 3.41
    n-nonanol 1.01
    cyclohexanol 0.88
    benzyl alcohol 2.03
    2-ethylhexanol 0.62
    isooctanol 1.15
    dipropyl ether 1.05
    1,2-dichlorobenzene 0.51
    ethyl lactate 1.87
    propylene carbonate 3.27
    n-methylformamide 10.66
    2-pentanol 0.79
    n-pentane 0.05
    1-propoxy-2-propanol 7.58
    1-methoxy-2-propyl acetate 5.23
    2-(2-methoxypropoxy) propanol 5.35
    mesitylene 0.19
    ε-caprolactone 4.69
    p-cymene 0.24
    epichlorohydrin 12.19
    1,1,1-trichloroethane 0.83
    2-aminoethanol 8.4
    morpholine-4-carbaldehyde 23.42
    sulfolane 18.15
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 4.41
    n-hexyl acetate 2.32
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.18
    sec-butyl acetate 0.76
    tert-butyl acetate 1.97
    decalin 0.04
    glycerin 11.27
    diglyme 15.15
    acrylic acid 4.22
    isopropyl myristate 0.51
    n-butyric acid 3.42
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 1.18
    ethyl propionate 1.16
    nitromethane 11.57
    1,2-diethoxyethane 2.97
    benzonitrile 0.93
    trioctyl phosphate 0.81
    1-bromopropane 0.54
    gamma-valerolactone 26.35
    n-decanol 0.51
    triethyl phosphate 0.87
    4-methyl-2-pentanol 0.6
    propionitrile 1.06
    vinylene carbonate 3.47
    1,1,2-trichlorotrifluoroethane 14.14
    DMS 2.15
    cumene 0.22
    2-octanol 0.68
    2-hexanone 1.73
    octyl acetate 0.93
    limonene 0.32
    1,2-dimethoxyethane 11.62
    ethyl orthosilicate 0.83
    tributyl phosphate 0.66
    diacetone alcohol 4.61
    N,N-dimethylaniline 1.06
    acrylonitrile 1.81
    aniline 1.17
    1,3-propanediol 9.73
    bromobenzene 0.36
    dibromomethane 1.21
    1,1,2,2-tetrachloroethane 2.66
    2-methyl-cyclohexyl acetate 1.29
    tetrabutyl urea 1.13
    diisobutyl methanol 0.37
    2-phenylethanol 2.64
    styrene 0.28
    dioctyl adipate 1.05
    dimethyl sulfate 6.32
    ethyl butyrate 1.1
    methyl lactate 4.98
    butyl lactate 3.07
    diethyl carbonate 0.73
    propanediol butyl ether 7.55
    triethyl orthoformate 1.24
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 3.44
    morpholine 14.93
    tert-butylamine 0.47
    n-dodecanol 0.27
    dimethoxymethane 18.76
    ethylene carbonate 2.62
    cyrene 7.51
    2-ethoxyethyl acetate 5.57
    2-ethylhexyl acetate 1.04
    1,2,4-trichlorobenzene 0.77
    4-methylpyridine 2.31
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.37
    DEF 3.82
    dimethyl isosorbide 8.55
    tetrachloroethylene 2.31
    eugenol 4.53
    triacetin 3.43
    span 80 4.89
    1,4-butanediol 3.09
    1,1-dichloroethane 0.89
    2-methyl-1-pentanol 0.92
    methyl formate 6.73
    2-methyl-1-butanol 1.13
    n-decane 0.04
    butyronitrile 0.97
    3,7-dimethyl-1-octanol 0.62
    1-chlorooctane 0.22
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 2.09
    tetrahydropyran 3.56
    tert-amyl methyl ether 0.91
    2,5,8-trioxanonane 8.63
    1-hexene 0.18
    2-isopropoxyethanol 5.1
    2,2,2-trifluoroethanol 4.12
    methyl butyrate 1.59

    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