Cedrane

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  • Identifiers

    CAS number
    13567-54-9

    Molecular formula
    C15H26

    SMILES
    C[C@@H]1CC[C@@]23C[C@@H]1C([C@@H]2CC[C@H]3C)(C)C

    Retention indicies (RI)

    • DB5: 1436.0

  • Odor profile

    Woody 84.54%
    Dry 51.98%
    Amber 48.15%
    Sweet 44.45%
    Cedar 40.49%
    Spicy 38.37%
    Fresh 36.0%
    Balsamic 35.07%
    Pine 33.86%
    Sandalwood 33.62%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7

    Molecular weight
    206.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    110.04 ˚C

  • Synonyms

    • Cedrane
    • alpha-Cedrane
    • 13567-54-9
    • CHEBI:36530
    • (1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
    • (1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undecane
    • [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
    • .alpha.-Cedrane
    • a-Cedrane
    • (1S,2R,5S,7S,8R)-2,6,6,8-Tetramethyltricyclo(5.3.1.0(1,5))undecane
    • (1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo(5.3.1.01,5)undecane
    • (3R-(3a,3Abeta,6a,7b,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
    • [3R-(3a,3Abeta,6a,7b,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
    • (3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
    • Q27116872
    • (3R,8abeta)-2,3,3a,4,5,6,7,8a-Octahydro-3beta,6beta,8,8-tetramethyl-1H-3aalpha,7alpha-methanoazulene
    • 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-

  • Applications

    Cedrane (CAS 13567-54-9) is a sesquiterpene hydrocarbon derived from cedarwood oil, valued by the fragrance industry for its dry, clean, woody character with faint balsamic–amber facets and strong substantivity; it is widely used as a base note/fixative to add body, enhance diffusion, and extend longevity in fine fragrances, aftershaves, deodorants, haircare and personal-care products, and it delivers robust performance in soaps, detergents, fabric softeners, candles, and air-care formats due to its hydrophobicity and greater thermal/alkaline stability than many unsaturated terpenes; cedrane blends especially well with citrus, aromatic herbs, coniferous notes, vetiver, patchouli, and musks to build modern woody–amber accords. Beyond perfumery, it is employed as a reference standard in GC–MS profiling of sesquiterpenes, as a substrate for biotransformation/selective oxidation studies, and as a model odorant in polymer fragrance-release tests; in home-fragrance uses it contributes to the cedarwood-like “insect-warding” sensory cue in sachets, closets and wooden items without necessitating biocidal claims.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 256.17
    methanol 174.29
    isopropanol 269.15
    water 1.08
    ethyl acetate 586.77
    n-propanol 301.43
    acetone 604.67
    n-butanol 325.58
    acetonitrile 513.8
    DMF 500.18
    toluene 874.23
    isobutanol 245.85
    1,4-dioxane 1199.98
    methyl acetate 466.58
    THF 2411.77
    2-butanone 510.93
    n-pentanol 149.79
    sec-butanol 189.82
    n-hexane 133.83
    ethylene glycol 31.49
    NMP 492.69
    cyclohexane 398.61
    DMSO 256.67
    n-butyl acetate 844.11
    n-octanol 219.71
    chloroform 1167.26
    n-propyl acetate 336.37
    acetic acid 137.01
    dichloromethane 1100.53
    cyclohexanone 995.94
    propylene glycol 46.33
    isopropyl acetate 521.44
    DMAc 322.53
    2-ethoxyethanol 171.25
    isopentanol 287.73
    n-heptane 248.68
    ethyl formate 341.36
    1,2-dichloroethane 711.66
    n-hexanol 448.18
    2-methoxyethanol 320.23
    isobutyl acetate 320.4
    tetrachloromethane 383.15
    n-pentyl acetate 401.73
    transcutol 553.74
    n-heptanol 249.97
    ethylbenzene 327.63
    MIBK 469.15
    2-propoxyethanol 534.0
    tert-butanol 306.35
    MTBE 530.35
    2-butoxyethanol 304.13
    propionic acid 174.85
    o-xylene 440.15
    formic acid 33.28
    diethyl ether 663.21
    m-xylene 600.58
    p-xylene 408.37
    chlorobenzene 714.04
    dimethyl carbonate 229.78
    n-octane 91.58
    formamide 74.19
    cyclopentanone 1217.44
    2-pentanone 555.85
    anisole 420.78
    cyclopentyl methyl ether 983.03
    gamma-butyrolactone 1147.04
    1-methoxy-2-propanol 304.51
    pyridine 951.16
    3-pentanone 428.48
    furfural 662.91
    n-dodecane 60.2
    diethylene glycol 219.2
    diisopropyl ether 354.06
    tert-amyl alcohol 192.62
    acetylacetone 631.04
    n-hexadecane 71.82
    acetophenone 322.9
    methyl propionate 426.14
    isopentyl acetate 725.05
    trichloroethylene 1006.55
    n-nonanol 204.35
    cyclohexanol 406.81
    benzyl alcohol 221.61
    2-ethylhexanol 336.52
    isooctanol 211.52
    dipropyl ether 693.85
    1,2-dichlorobenzene 560.54
    ethyl lactate 125.08
    propylene carbonate 575.93
    n-methylformamide 253.31
    2-pentanol 228.05
    n-pentane 182.41
    1-propoxy-2-propanol 450.31
    1-methoxy-2-propyl acetate 626.3
    2-(2-methoxypropoxy) propanol 239.26
    mesitylene 434.87
    ε-caprolactone 758.86
    p-cymene 351.46
    epichlorohydrin 977.98
    1,1,1-trichloroethane 766.45
    2-aminoethanol 81.37
    morpholine-4-carbaldehyde 592.88
    sulfolane 699.18
    2,2,4-trimethylpentane 81.26
    2-methyltetrahydrofuran 1199.24
    n-hexyl acetate 484.24
    isooctane 100.69
    2-(2-butoxyethoxy)ethanol 314.91
    sec-butyl acetate 281.3
    tert-butyl acetate 559.22
    decalin 137.89
    glycerin 65.64
    diglyme 664.45
    acrylic acid 130.6
    isopropyl myristate 236.94
    n-butyric acid 363.88
    acetyl acetate 420.56
    di(2-ethylhexyl) phthalate 167.45
    ethyl propionate 335.12
    nitromethane 338.04
    1,2-diethoxyethane 529.61
    benzonitrile 495.19
    trioctyl phosphate 152.02
    1-bromopropane 640.64
    gamma-valerolactone 1079.29
    n-decanol 152.03
    triethyl phosphate 213.61
    4-methyl-2-pentanol 193.16
    propionitrile 579.11
    vinylene carbonate 532.7
    1,1,2-trichlorotrifluoroethane 303.89
    DMS 371.61
    cumene 231.61
    2-octanol 169.75
    2-hexanone 321.47
    octyl acetate 256.57
    limonene 438.75
    1,2-dimethoxyethane 529.62
    ethyl orthosilicate 227.19
    tributyl phosphate 176.46
    diacetone alcohol 320.59
    N,N-dimethylaniline 277.84
    acrylonitrile 518.26
    aniline 493.78
    1,3-propanediol 168.1
    bromobenzene 892.26
    dibromomethane 852.0
    1,1,2,2-tetrachloroethane 659.45
    2-methyl-cyclohexyl acetate 384.36
    tetrabutyl urea 207.82
    diisobutyl methanol 253.9
    2-phenylethanol 395.42
    styrene 371.65
    dioctyl adipate 246.44
    dimethyl sulfate 241.95
    ethyl butyrate 534.69
    methyl lactate 139.32
    butyl lactate 224.78
    diethyl carbonate 315.98
    propanediol butyl ether 176.43
    triethyl orthoformate 370.4
    p-tert-butyltoluene 359.71
    methyl 4-tert-butylbenzoate 353.84
    morpholine 960.26
    tert-butylamine 288.56
    n-dodecanol 119.37
    dimethoxymethane 678.03
    ethylene carbonate 522.99
    cyrene 208.77
    2-ethoxyethyl acetate 453.93
    2-ethylhexyl acetate 620.26
    1,2,4-trichlorobenzene 538.66
    4-methylpyridine 928.89
    dibutyl ether 405.69
    2,6-dimethyl-4-heptanol 253.9
    DEF 434.99
    dimethyl isosorbide 564.05
    tetrachloroethylene 502.42
    eugenol 261.54
    triacetin 322.86
    span 80 236.02
    1,4-butanediol 54.55
    1,1-dichloroethane 684.22
    2-methyl-1-pentanol 143.89
    methyl formate 240.69
    2-methyl-1-butanol 227.28
    n-decane 106.53
    butyronitrile 638.02
    3,7-dimethyl-1-octanol 218.6
    1-chlorooctane 259.54
    1-chlorotetradecane 110.48
    n-nonane 109.4
    undecane 77.63
    tert-butylcyclohexane 121.61
    cyclooctane 199.46
    cyclopentanol 407.3
    tetrahydropyran 1344.34
    tert-amyl methyl ether 332.04
    2,5,8-trioxanonane 396.76
    1-hexene 256.81
    2-isopropoxyethanol 157.15
    2,2,2-trifluoroethanol 83.1
    methyl butyrate 383.85

    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

Botanical

Name CAS Botanical Proportion
Olibanum, African (Somalia) 1 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.03%