Kessane

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  • Identifiers

    CAS number
    3321-66-2

    Molecular formula
    C15H26O

    SMILES
    C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]3CC[C@@]2(OC3(C)C)C

    Retention indicies (RI)

    • DB5: 1528.0

  • Odor profile

    Woody 65.34%
    Herbal 53.17%
    Fresh 50.53%
    Spicy 49.08%
    Pine 42.28%
    Camphoreous 40.8%
    Sweet 39.91%
    Dry 38.81%
    Mint 38.6%
    Amber 38.45%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    278°C

    Flash point est.
    127.54 ˚C

  • Synonyms

    • Kessane
    • 3321-66-2
    • (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
    • 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S-(1alpha,4alpha,5abeta,6alpha,8aalpha))-
    • DTXSID90186862
    • (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo(6.2.2.02,6)dodecane
    • DTXCID30109353
    • (1R,3aR,4S,7R,8aR)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene
    • 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S,4R,5aR,6R,8aR)-
    • 1,4-Ethano-1H-cyclopent[c]oxepin, octahydro-1,3,3,6-tetramethyl-, (1S,4R,5aR,6R,8aR)-
    • 9-Oxatricyclo(5.3.2.0.(2,6))dodecane,1,5,8,8,-tetramethyl, (1S,2R,5R,6R,7R)-
    • 9-Oxatricyclo[5.3.2.0.(2,6)]dodecane,1,5,8,8,-tetramethyl, [1S,2R,5R,6R,7R]-
    • CHEBI:197052
    • AKOS040752252
    • (1S,2S,5S,6S,8S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.3
    methanol 324.12
    isopropanol 225.04
    water 5.16
    ethyl acetate 451.07
    n-propanol 309.05
    acetone 373.61
    n-butanol 274.36
    acetonitrile 314.02
    DMF 513.94
    toluene 726.81
    isobutanol 269.95
    1,4-dioxane 981.05
    methyl acetate 479.29
    THF 1255.09
    2-butanone 462.06
    n-pentanol 193.93
    sec-butanol 217.01
    n-hexane 92.2
    ethylene glycol 90.02
    NMP 754.03
    cyclohexane 276.16
    DMSO 352.89
    n-butyl acetate 498.91
    n-octanol 232.63
    chloroform 2055.75
    n-propyl acetate 314.63
    acetic acid 293.83
    dichloromethane 1499.05
    cyclohexanone 973.73
    propylene glycol 113.15
    isopropyl acetate 353.06
    DMAc 509.93
    2-ethoxyethanol 259.41
    isopentanol 252.98
    n-heptane 127.25
    ethyl formate 330.23
    1,2-dichloroethane 685.99
    n-hexanol 385.55
    2-methoxyethanol 386.55
    isobutyl acetate 308.71
    tetrachloromethane 417.47
    n-pentyl acetate 392.57
    transcutol 693.17
    n-heptanol 242.15
    ethylbenzene 332.0
    MIBK 300.05
    2-propoxyethanol 484.22
    tert-butanol 216.13
    MTBE 305.53
    2-butoxyethanol 339.69
    propionic acid 325.8
    o-xylene 415.94
    formic acid 106.15
    diethyl ether 386.66
    m-xylene 471.9
    p-xylene 425.49
    chlorobenzene 781.61
    dimethyl carbonate 236.3
    n-octane 55.9
    formamide 140.67
    cyclopentanone 968.49
    2-pentanone 370.55
    anisole 417.76
    cyclopentyl methyl ether 646.49
    gamma-butyrolactone 1045.34
    1-methoxy-2-propanol 307.52
    pyridine 996.7
    3-pentanone 394.58
    furfural 867.98
    n-dodecane 49.12
    diethylene glycol 319.52
    diisopropyl ether 181.63
    tert-amyl alcohol 197.36
    acetylacetone 447.99
    n-hexadecane 57.09
    acetophenone 396.36
    methyl propionate 401.96
    isopentyl acetate 492.65
    trichloroethylene 1336.28
    n-nonanol 206.11
    cyclohexanol 430.53
    benzyl alcohol 334.81
    2-ethylhexanol 275.95
    isooctanol 208.42
    dipropyl ether 325.17
    1,2-dichlorobenzene 660.6
    ethyl lactate 184.02
    propylene carbonate 655.53
    n-methylformamide 292.83
    2-pentanol 190.33
    n-pentane 104.59
    1-propoxy-2-propanol 353.56
    1-methoxy-2-propyl acetate 476.38
    2-(2-methoxypropoxy) propanol 290.58
    mesitylene 301.24
    ε-caprolactone 838.29
    p-cymene 271.57
    epichlorohydrin 939.58
    1,1,1-trichloroethane 768.44
    2-aminoethanol 166.15
    morpholine-4-carbaldehyde 784.75
    sulfolane 899.89
    2,2,4-trimethylpentane 60.93
    2-methyltetrahydrofuran 851.65
    n-hexyl acetate 490.92
    isooctane 52.14
    2-(2-butoxyethoxy)ethanol 351.91
    sec-butyl acetate 261.84
    tert-butyl acetate 328.38
    decalin 122.28
    glycerin 163.59
    diglyme 669.32
    acrylic acid 299.13
    isopropyl myristate 222.41
    n-butyric acid 404.05
    acetyl acetate 382.03
    di(2-ethylhexyl) phthalate 212.41
    ethyl propionate 300.41
    nitromethane 468.33
    1,2-diethoxyethane 368.91
    benzonitrile 586.51
    trioctyl phosphate 171.68
    1-bromopropane 520.92
    gamma-valerolactone 1166.96
    n-decanol 153.2
    triethyl phosphate 211.51
    4-methyl-2-pentanol 150.59
    propionitrile 373.55
    vinylene carbonate 725.76
    1,1,2-trichlorotrifluoroethane 537.27
    DMS 448.87
    cumene 239.76
    2-octanol 176.62
    2-hexanone 298.33
    octyl acetate 267.42
    limonene 323.01
    1,2-dimethoxyethane 491.87
    ethyl orthosilicate 198.0
    tributyl phosphate 198.93
    diacetone alcohol 264.71
    N,N-dimethylaniline 285.71
    acrylonitrile 421.62
    aniline 495.77
    1,3-propanediol 215.7
    bromobenzene 919.84
    dibromomethane 1046.43
    1,1,2,2-tetrachloroethane 1030.61
    2-methyl-cyclohexyl acetate 361.97
    tetrabutyl urea 228.25
    diisobutyl methanol 171.49
    2-phenylethanol 438.71
    styrene 393.83
    dioctyl adipate 272.14
    dimethyl sulfate 324.42
    ethyl butyrate 348.96
    methyl lactate 199.03
    butyl lactate 271.31
    diethyl carbonate 269.25
    propanediol butyl ether 265.16
    triethyl orthoformate 284.6
    p-tert-butyltoluene 257.93
    methyl 4-tert-butylbenzoate 370.67
    morpholine 850.92
    tert-butylamine 180.63
    n-dodecanol 123.31
    dimethoxymethane 442.87
    ethylene carbonate 603.03
    cyrene 304.72
    2-ethoxyethyl acetate 462.99
    2-ethylhexyl acetate 470.28
    1,2,4-trichlorobenzene 717.04
    4-methylpyridine 901.03
    dibutyl ether 262.72
    2,6-dimethyl-4-heptanol 171.49
    DEF 402.21
    dimethyl isosorbide 538.77
    tetrachloroethylene 738.85
    eugenol 326.89
    triacetin 448.67
    span 80 300.49
    1,4-butanediol 112.38
    1,1-dichloroethane 715.55
    2-methyl-1-pentanol 200.9
    methyl formate 286.52
    2-methyl-1-butanol 251.17
    n-decane 78.65
    butyronitrile 365.63
    3,7-dimethyl-1-octanol 214.29
    1-chlorooctane 219.79
    1-chlorotetradecane 102.56
    n-nonane 78.47
    undecane 59.88
    tert-butylcyclohexane 96.62
    cyclooctane 120.86
    cyclopentanol 447.42
    tetrahydropyran 918.9
    tert-amyl methyl ether 260.75
    2,5,8-trioxanonane 451.73
    1-hexene 201.17
    2-isopropoxyethanol 217.11
    2,2,2-trifluoroethanol 165.9
    methyl butyrate 351.66

    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
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 6.8%
Cymbopogon nardus, var. confertiflorus Cymbopogon naruds (L.) Rendle, var., confertiflorus (Steud.), fam. Poaceae 0.05%
Calamus (Bangladesh) root 8015-79-0 Acorus calamus L., fam. Araceae 0.06%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 0.1%
Celery seed (India) 5 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 4.0%