Clovanediol

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  • Identifiers

    CAS number
    2649-64-1

    Molecular formula
    C15H26O2

    SMILES
    C[C@@]12CC[C@@H]3[C@@](C1)(CC[C@H]2O)[C@H](CC3(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.41%
    Camphoreous 60.54%
    Earthy 56.24%
    Herbal 51.0%
    Balsamic 49.81%
    Pine 48.59%
    Mint 46.78%
    Sweet 46.25%
    Spicy 41.62%
    Amber 39.98%

     

    Flavor
    Woody 50.82%
    Earthy 47.06%
    Camphor 43.36%
    Sweet 43.22%
    Spicy 40.55%
    Bitter 39.38%
    Pine 37.55%
    Herbal 36.34%
    Earth 35.96%
    Balsam 31.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.84 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    402°C

    Flash point

    • 176.21 ˚C est.

  • Synonyms

    • clovanediol
    • 2649-64-1
    • Clovane-2beta,9alpha-diol
    • (1S,2S,5S,8R,9R)-4,4,8-Trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
    • 3813SSB4ES
    • 3a,7-Methano-3ah-cyclopentacyclooctene-3,6-diol, decahydro-1,1,7-trimethyl-, (3S,3aS,6R,7R,9aS)-
    • 2beta,9alpha-Clovanediol
    • 2beta,9alpha-Dihydroxyclovane
    • (1S,2S,5S,8R,9R)-Clovane-2,9-diol
    • DTXSID401318232
    • 3a,7-Methano-3ah-cyclopentacyclooctene-3,6-diol, decahydro-1,1,7-trimethyl-, (3S-(3alpha,3abeta,6beta,7beta,9aalpha))-
    • (1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo(6.3.1.01,5)dodecane-2,9-diol
    • RefChem:1082035
    • DTXCID801748019
    • (3S,3aS,6R,7S,9aS)-1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo(6.3.1.0^(1,5))dodecane-3,6-diol
    • CHEMBL465622
    • Clovan-2beta,9alpha-diol
    • UNII-3813SSB4ES
    • orb1682919
    • SCHEMBL24176172
    • CHEBI:185268
    • BDBM50241722
    • MFCD20260763
    • AKOS032962106
    • 2.BETA.,9.ALPHA.-CLOVANEDIOL
    • FS-9684
    • LMPR0103710001
    • CLOVANE-2.BETA.,9.ALPHA.-DIOL
    • 2.BETA.,9.ALPHA.-DIHYDROXYCLOVANE
    • (1S,4R,5R,8S,9S)-clovane-5,9-diol
    • CS-0023927
    • Q27256718
    • 2,9-Clovanediol; 2,9-Dihydroxyclovane; Clovane-2,9-diol
    • (1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.0?,?]dodecane-2,9-diol
    • (3S,3aS,6R,7R,9aS)-1,1,7-Trimethyldecahydro-3a,7-methanocyclopenta[8]annulene-3,6-diol
    • 3a,7-Methano-3aH-cyclopentacyclooctene-3,6-diol, 1,2,3,4,5,6,7,8,9,9a-decahydro-1,1,7-trimethyl-
    • 3A,7-METHANO-3AH-CYCLOPENTACYCLOOCTENE-3,6-DIOL, DECAHYDRO-1,1,7-TRIMETHYL-, (3S-(3.ALPHA.,3A.BETA.,6.BETA.,7.BETA.,9A.ALPHA.))-
    • 2649-64-1

  • Applications

    Clovanediol (CAS 2649-64-1) is primarily used as an intermediate in fragrance chemistry and may serve as an odorant or fixative in perfumery; in cosmetics and personal care, it can function as a fragrance ingredient or formulation aid; in industrial manufacturing it is commonly evaluated as a synthetic building block for specialty chemicals, including intermediates for polymers and resins; in polymers and plastics, it may act as a precursor to functional monomers or as a crosslinking modifier for specialty polymers; in coatings and inks it may be used as a reactive diluent or additive to tailor processing properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.4
    methanol 223.39
    isopropanol 108.15
    water 4.49
    ethyl acetate 129.51
    n-propanol 118.5
    acetone 168.03
    n-butanol 111.57
    acetonitrile 120.9
    DMF 244.34
    toluene 90.4
    isobutanol 70.59
    1,4-dioxane 286.64
    methyl acetate 101.72
    THF 659.5
    2-butanone 108.24
    n-pentanol 37.39
    sec-butanol 45.17
    n-hexane 2.99
    ethylene glycol 39.29
    NMP 141.27
    cyclohexane 8.17
    DMSO 184.28
    n-butyl acetate 94.91
    n-octanol 36.55
    chloroform 228.35
    n-propyl acetate 64.59
    acetic acid 105.1
    dichloromethane 159.21
    cyclohexanone 162.12
    propylene glycol 42.46
    isopropyl acetate 111.34
    DMAc 125.81
    2-ethoxyethanol 95.9
    isopentanol 79.54
    n-heptane 5.64
    ethyl formate 90.41
    1,2-dichloroethane 92.93
    n-hexanol 80.49
    2-methoxyethanol 225.81
    isobutyl acetate 54.79
    tetrachloromethane 45.07
    n-pentyl acetate 67.45
    transcutol 280.43
    n-heptanol 52.76
    ethylbenzene 36.11
    MIBK 93.31
    2-propoxyethanol 197.09
    tert-butanol 95.77
    MTBE 69.69
    2-butoxyethanol 111.41
    propionic acid 76.26
    o-xylene 54.43
    formic acid 85.39
    diethyl ether 96.33
    m-xylene 81.42
    p-xylene 45.85
    chlorobenzene 87.55
    dimethyl carbonate 83.01
    n-octane 2.69
    formamide 128.2
    cyclopentanone 264.04
    2-pentanone 117.78
    anisole 76.17
    cyclopentyl methyl ether 163.6
    gamma-butyrolactone 311.39
    1-methoxy-2-propanol 202.18
    pyridine 172.44
    3-pentanone 73.63
    furfural 250.51
    n-dodecane 1.93
    diethylene glycol 158.85
    diisopropyl ether 36.27
    tert-amyl alcohol 43.74
    acetylacetone 158.95
    n-hexadecane 2.33
    acetophenone 78.21
    methyl propionate 107.17
    isopentyl acetate 93.15
    trichloroethylene 204.38
    n-nonanol 35.39
    cyclohexanol 66.59
    benzyl alcohol 63.39
    2-ethylhexanol 43.77
    isooctanol 42.19
    dipropyl ether 59.26
    1,2-dichlorobenzene 81.24
    ethyl lactate 52.83
    propylene carbonate 157.3
    n-methylformamide 179.03
    2-pentanol 54.72
    n-pentane 5.42
    1-propoxy-2-propanol 134.95
    1-methoxy-2-propyl acetate 152.17
    2-(2-methoxypropoxy) propanol 80.6
    mesitylene 50.98
    ε-caprolactone 147.54
    p-cymene 32.99
    epichlorohydrin 244.97
    1,1,1-trichloroethane 99.72
    2-aminoethanol 79.92
    morpholine-4-carbaldehyde 208.62
    sulfolane 249.92
    2,2,4-trimethylpentane 3.74
    2-methyltetrahydrofuran 187.33
    n-hexyl acetate 77.93
    isooctane 5.32
    2-(2-butoxyethoxy)ethanol 110.28
    sec-butyl acetate 53.83
    tert-butyl acetate 120.67
    decalin 5.44
    glycerin 83.99
    diglyme 211.25
    acrylic acid 79.96
    isopropyl myristate 30.55
    n-butyric acid 121.76
    acetyl acetate 105.54
    di(2-ethylhexyl) phthalate 38.04
    ethyl propionate 68.79
    nitromethane 224.64
    1,2-diethoxyethane 87.65
    benzonitrile 96.23
    trioctyl phosphate 31.61
    1-bromopropane 47.28
    gamma-valerolactone 338.59
    n-decanol 24.99
    triethyl phosphate 41.15
    4-methyl-2-pentanol 46.47
    propionitrile 95.41
    vinylene carbonate 160.68
    1,1,2-trichlorotrifluoroethane 162.73
    DMS 77.46
    cumene 27.46
    2-octanol 30.01
    2-hexanone 52.05
    octyl acetate 37.58
    limonene 36.44
    1,2-dimethoxyethane 167.8
    ethyl orthosilicate 41.15
    tributyl phosphate 32.25
    diacetone alcohol 115.39
    N,N-dimethylaniline 54.72
    acrylonitrile 125.97
    aniline 97.76
    1,3-propanediol 126.23
    bromobenzene 87.47
    dibromomethane 95.59
    1,1,2,2-tetrachloroethane 146.15
    2-methyl-cyclohexyl acetate 60.39
    tetrabutyl urea 39.2
    diisobutyl methanol 36.24
    2-phenylethanol 87.7
    styrene 36.66
    dioctyl adipate 42.73
    dimethyl sulfate 120.43
    ethyl butyrate 70.54
    methyl lactate 82.64
    butyl lactate 68.01
    diethyl carbonate 49.97
    propanediol butyl ether 82.1
    triethyl orthoformate 60.34
    p-tert-butyltoluene 35.97
    methyl 4-tert-butylbenzoate 91.91
    morpholine 262.01
    tert-butylamine 52.16
    n-dodecanol 17.35
    dimethoxymethane 266.02
    ethylene carbonate 138.47
    cyrene 91.26
    2-ethoxyethyl acetate 103.73
    2-ethylhexyl acetate 69.48
    1,2,4-trichlorobenzene 94.28
    4-methylpyridine 142.85
    dibutyl ether 31.19
    2,6-dimethyl-4-heptanol 36.24
    DEF 90.34
    dimethyl isosorbide 158.48
    tetrachloroethylene 109.32
    eugenol 85.6
    triacetin 87.65
    span 80 70.53
    1,4-butanediol 31.76
    1,1-dichloroethane 94.7
    2-methyl-1-pentanol 30.95
    methyl formate 156.63
    2-methyl-1-butanol 55.09
    n-decane 3.94
    butyronitrile 104.87
    3,7-dimethyl-1-octanol 36.5
    1-chlorooctane 18.03
    1-chlorotetradecane 6.01
    n-nonane 3.34
    undecane 2.65
    tert-butylcyclohexane 5.36
    cyclooctane 4.59
    cyclopentanol 85.56
    tetrahydropyran 204.06
    tert-amyl methyl ether 43.18
    2,5,8-trioxanonane 129.33
    1-hexene 12.0
    2-isopropoxyethanol 65.9
    2,2,2-trifluoroethanol 75.79
    methyl butyrate 72.85

    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