Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    56747-96-7

    Molecular formula
    C15H26O

    SMILES
    C[C@@]12CCC[C@@](C1)([C@H]3CC([C@@H]3CC2)(C)C)O

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1571.0

  • Odor profile

    Woody 80.99%
    Earthy 56.83%
    Amber 53.95%
    Spicy 51.99%
    Dry 51.4%
    Cedar 44.17%
    Camphoreous 44.11%
    Musk 38.96%
    Balsamic 38.45%
    Pine 32.91%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    306°C

    Flash point est.
    118.75 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Caryolan-1-ol
    • EINECS 260-364-3
    • 472-97-9
    • 9Y50O7OH2E
    • 56747-96-7
    • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-
    • 2192AHI681
    • 58404-89-0
    • Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, (1R-(1-alpha,2-alpha,5-beta,8beta))-
    • beta-Caryolanol
    • Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, stereoisomer
    • .beta.-Caryophyllene alcohol
    • Caryophyllene alcohol, beta-
    • UNII-9Y50O7OH2E
    • EINECS 207-458-2
    • CARYOLANOL-1
    • .BETA.-CARYOLANOL
    • CHEMBL3120650
    • FEMA NO. 4410
    • SCHEMBL15262040
    • UNII-2192AHI681
    • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-
    • FUQAYSQLAOJBBC-PAPYEOQZSA-N
    • DTXSID501033247
    • 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-ol, stereoisomer
    • CARYOPHYLLENE ALCOHOL [FHFI]
    • EINECS 261-237-5
    • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, stereoisomer
    • beta-Caryophyllene alcohol, (+/-)-
    • 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-ol, (1R-(1alpha,2alpha,5beta,8beta))-
    • AI3-26373
    • .BETA.-CARYOPHYLLENE ALCOHOL, (+/-)-
    • Tricyclo(6.3.1.0(2,5))dodecan-1-ol, 4,4,8-trimethyl-, stereoisomer
    • (1alpha,2alpha,5beta,8beta)-4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-ol
    • TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, (1R,2S,5R,8S)-REL-
    • TRICYCLO(6.3.1.02,5)DODECAN-1-OL, 4,4,8-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.BETA.,8.BETA.)-

  • Applications

    Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)- (CAS 56747-96-7) is a rigid, hydrophobic, tertiary polycyclic alcohol; in practice and research, compounds of this type are leveraged as low-volatility fragrance components/fixatives (used directly or as esters) and as pro‑fragrance carriers, as intermediates to prepare sesquiterpenoid, ester, and carbamate derivatives for pharma/agro leads, as a chiral building block or auxiliary for stereoselective synthesis, as a precursor to acrylate/methacrylate/urethane monomers for resins, coatings and adhesives to enhance hardness, hydrophobicity and thermo‑oxidative stability, as lubricant additives after long‑chain esterification to improve friction, flash point and volatility profiles, and as analytical reference/retention-index markers in GC–MS and model substrates for studying the geometry and properties of rigid hydrocarbon frameworks; specific deployment depends on safety, sensory, and regulatory assessments in the intended application.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.34
    methanol 94.76
    isopropanol 137.82
    water 0.75
    ethyl acetate 131.82
    n-propanol 124.83
    acetone 155.99
    n-butanol 125.04
    acetonitrile 106.63
    DMF 197.07
    toluene 160.25
    isobutanol 109.41
    1,4-dioxane 289.74
    methyl acetate 120.55
    THF 527.28
    2-butanone 158.22
    n-pentanol 78.84
    sec-butanol 99.92
    n-hexane 23.26
    ethylene glycol 24.39
    NMP 163.92
    cyclohexane 49.33
    DMSO 126.76
    n-butyl acetate 170.83
    n-octanol 92.82
    chloroform 387.97
    n-propyl acetate 102.63
    acetic acid 69.16
    dichloromethane 223.38
    cyclohexanone 262.96
    propylene glycol 52.19
    isopropyl acetate 129.03
    DMAc 151.56
    2-ethoxyethanol 96.26
    isopentanol 120.51
    n-heptane 37.86
    ethyl formate 93.91
    1,2-dichloroethane 132.35
    n-hexanol 170.67
    2-methoxyethanol 149.58
    isobutyl acetate 108.56
    tetrachloromethane 70.64
    n-pentyl acetate 120.19
    transcutol 273.11
    n-heptanol 106.55
    ethylbenzene 91.52
    MIBK 126.87
    2-propoxyethanol 222.17
    tert-butanol 145.32
    MTBE 140.1
    2-butoxyethanol 146.86
    propionic acid 78.88
    o-xylene 107.7
    formic acid 21.55
    diethyl ether 134.72
    m-xylene 132.23
    p-xylene 121.36
    chlorobenzene 143.79
    dimethyl carbonate 67.22
    n-octane 17.3
    formamide 36.2
    cyclopentanone 298.62
    2-pentanone 140.01
    anisole 133.28
    cyclopentyl methyl ether 193.79
    gamma-butyrolactone 268.59
    1-methoxy-2-propanol 173.96
    pyridine 215.52
    3-pentanone 112.92
    furfural 218.95
    n-dodecane 15.09
    diethylene glycol 135.35
    diisopropyl ether 69.71
    tert-amyl alcohol 98.46
    acetylacetone 165.63
    n-hexadecane 17.24
    acetophenone 126.66
    methyl propionate 113.13
    isopentyl acetate 182.17
    trichloroethylene 260.27
    n-nonanol 89.04
    cyclohexanol 125.79
    benzyl alcohol 106.26
    2-ethylhexanol 111.07
    isooctanol 90.38
    dipropyl ether 141.5
    1,2-dichlorobenzene 130.8
    ethyl lactate 71.38
    propylene carbonate 184.12
    n-methylformamide 81.65
    2-pentanol 93.54
    n-pentane 28.71
    1-propoxy-2-propanol 196.04
    1-methoxy-2-propyl acetate 190.67
    2-(2-methoxypropoxy) propanol 141.28
    mesitylene 97.81
    ε-caprolactone 209.18
    p-cymene 89.6
    epichlorohydrin 243.83
    1,1,1-trichloroethane 164.21
    2-aminoethanol 57.64
    morpholine-4-carbaldehyde 210.72
    sulfolane 240.43
    2,2,4-trimethylpentane 18.17
    2-methyltetrahydrofuran 252.34
    n-hexyl acetate 159.98
    isooctane 21.4
    2-(2-butoxyethoxy)ethanol 163.04
    sec-butyl acetate 89.77
    tert-butyl acetate 143.33
    decalin 29.32
    glycerin 69.46
    diglyme 262.77
    acrylic acid 69.63
    isopropyl myristate 84.31
    n-butyric acid 129.9
    acetyl acetate 104.5
    di(2-ethylhexyl) phthalate 82.26
    ethyl propionate 95.74
    nitromethane 119.74
    1,2-diethoxyethane 133.34
    benzonitrile 151.57
    trioctyl phosphate 72.97
    1-bromopropane 120.41
    gamma-valerolactone 334.12
    n-decanol 69.36
    triethyl phosphate 72.98
    4-methyl-2-pentanol 84.09
    propionitrile 126.64
    vinylene carbonate 173.89
    1,1,2-trichlorotrifluoroethane 161.48
    DMS 110.54
    cumene 75.87
    2-octanol 70.76
    2-hexanone 111.09
    octyl acetate 97.67
    limonene 100.6
    1,2-dimethoxyethane 195.31
    ethyl orthosilicate 74.6
    tributyl phosphate 74.76
    diacetone alcohol 138.7
    N,N-dimethylaniline 102.85
    acrylonitrile 127.81
    aniline 126.31
    1,3-propanediol 90.79
    bromobenzene 155.14
    dibromomethane 169.57
    1,1,2,2-tetrachloroethane 225.65
    2-methyl-cyclohexyl acetate 132.47
    tetrabutyl urea 87.66
    diisobutyl methanol 81.47
    2-phenylethanol 152.19
    styrene 92.99
    dioctyl adipate 96.25
    dimethyl sulfate 86.04
    ethyl butyrate 128.74
    methyl lactate 81.47
    butyl lactate 109.3
    diethyl carbonate 85.79
    propanediol butyl ether 125.5
    triethyl orthoformate 108.49
    p-tert-butyltoluene 93.28
    methyl 4-tert-butylbenzoate 147.69
    morpholine 266.77
    tert-butylamine 112.17
    n-dodecanol 55.9
    dimethoxymethane 185.14
    ethylene carbonate 150.75
    cyrene 128.39
    2-ethoxyethyl acetate 139.08
    2-ethylhexyl acetate 153.09
    1,2,4-trichlorobenzene 148.39
    4-methylpyridine 207.02
    dibutyl ether 98.77
    2,6-dimethyl-4-heptanol 81.47
    DEF 121.8
    dimethyl isosorbide 232.04
    tetrachloroethylene 143.14
    eugenol 132.57
    triacetin 149.43
    span 80 136.58
    1,4-butanediol 38.78
    1,1-dichloroethane 160.57
    2-methyl-1-pentanol 75.33
    methyl formate 75.17
    2-methyl-1-butanol 97.25
    n-decane 24.87
    butyronitrile 143.33
    3,7-dimethyl-1-octanol 96.56
    1-chlorooctane 67.62
    1-chlorotetradecane 32.33
    n-nonane 22.71
    undecane 19.06
    tert-butylcyclohexane 27.42
    cyclooctane 24.75
    cyclopentanol 137.99
    tetrahydropyran 290.06
    tert-amyl methyl ether 97.5
    2,5,8-trioxanonane 176.84
    1-hexene 64.57
    2-isopropoxyethanol 89.59
    2,2,2-trifluoroethanol 39.03
    methyl butyrate 116.33

    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

Botanical

Name CAS Botanical Proportion
Salvia aramiensis (Turkey) Salvia aramiensis Rech. fil., fam. Lamiaceae (Labiatae) 0.05%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.5%
Pepper, black (India) 4 8006-82-4 Piper nigrum L., fam. Piperaceae 4.85%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.01%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.1%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.4%