Widdrol

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  • Identifiers

    CAS number
    6892-80-4

    Molecular formula
    C15H26O

    SMILES
    C[C@@]12CCCC(C1=CC[C@@](CC2)(C)O)(C)C

    Retention indicies (RI)

    • DB5: 1618.0
    • Carbowax: 2144.0

  • Odor profile

    Woody 80.83%
    Musk 58.53%
    Amber 58.38%
    Sweet 48.87%
    Dry 47.93%
    Powdery 44.19%
    Cedar 41.86%
    Floral 37.53%
    Earthy 36.65%
    Tobacco 34.92%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point est.
    139.86 ˚C

  • Synonyms

    • Widdrol
    • 6892-80-4
    • (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
    • 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4aS-cis)-
    • 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis-
    • (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo(7)annulen-7-ol
    • SCHEMBL6519819
    • CHEMBL2253133
    • DTXSID50988627
    • 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a.alpha.,7.beta.-tetramethyl-
    • NS00120567
    • 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4aalpha,7beta-tetramethyl-

  • Applications

    Widdrol (CAS 6892-80-4) is a sesquiterpenoid occurring in cedarwood and other Cupressaceae oils, used primarily as a fragrance ingredient delivering dry woody, balsamic, cedar facets and acting as a fixative/blender to enhance longevity in fine fragrances, personal care, and fragranced cleaners; in R&D and quality control it serves as a chemical marker and reference standard for GC–MS profiling and authentication of cedarwood oils; in vitro data indicate contributions to antimicrobial and insect-/termite-deterrent effects associated with cedarwood, informing bio-based wood-protection coatings and natural insect-repellent formulations; it is also explored as a sesquiterpene scaffold for derivative design and as a biological probe in cell-based mechanism studies, though such biomedical leads remain exploratory and require appropriate safety and regulatory evaluation before commercial use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 135.7
    methanol 144.61
    isopropanol 125.54
    water 0.42
    ethyl acetate 173.76
    n-propanol 135.81
    acetone 211.57
    n-butanol 134.61
    acetonitrile 150.52
    DMF 383.96
    toluene 241.1
    isobutanol 111.6
    1,4-dioxane 481.82
    methyl acetate 173.78
    THF 774.36
    2-butanone 207.71
    n-pentanol 79.18
    sec-butanol 106.58
    n-hexane 29.9
    ethylene glycol 23.16
    NMP 381.93
    cyclohexane 69.25
    DMSO 185.79
    n-butyl acetate 185.57
    n-octanol 114.04
    chloroform 473.74
    n-propyl acetate 112.16
    acetic acid 82.65
    dichloromethane 375.22
    cyclohexanone 374.73
    propylene glycol 46.5
    isopropyl acetate 135.7
    DMAc 297.32
    2-ethoxyethanol 105.0
    isopentanol 112.94
    n-heptane 49.48
    ethyl formate 107.87
    1,2-dichloroethane 188.52
    n-hexanol 196.47
    2-methoxyethanol 192.11
    isobutyl acetate 103.89
    tetrachloromethane 83.58
    n-pentyl acetate 145.89
    transcutol 371.19
    n-heptanol 114.25
    ethylbenzene 112.31
    MIBK 131.88
    2-propoxyethanol 267.99
    tert-butanol 151.49
    MTBE 166.75
    2-butoxyethanol 154.48
    propionic acid 97.12
    o-xylene 138.57
    formic acid 25.21
    diethyl ether 192.68
    m-xylene 163.18
    p-xylene 136.96
    chlorobenzene 190.51
    dimethyl carbonate 97.1
    n-octane 19.06
    formamide 43.99
    cyclopentanone 468.86
    2-pentanone 183.4
    anisole 188.37
    cyclopentyl methyl ether 304.1
    gamma-butyrolactone 444.58
    1-methoxy-2-propanol 196.5
    pyridine 299.44
    3-pentanone 161.25
    furfural 295.31
    n-dodecane 15.75
    diethylene glycol 146.52
    diisopropyl ether 78.11
    tert-amyl alcohol 113.95
    acetylacetone 204.41
    n-hexadecane 18.47
    acetophenone 156.84
    methyl propionate 170.58
    isopentyl acetate 182.77
    trichloroethylene 346.86
    n-nonanol 101.14
    cyclohexanol 154.91
    benzyl alcohol 119.43
    2-ethylhexanol 128.39
    isooctanol 92.05
    dipropyl ether 176.76
    1,2-dichlorobenzene 171.09
    ethyl lactate 73.85
    propylene carbonate 236.13
    n-methylformamide 126.45
    2-pentanol 90.13
    n-pentane 33.63
    1-propoxy-2-propanol 203.33
    1-methoxy-2-propyl acetate 210.67
    2-(2-methoxypropoxy) propanol 161.19
    mesitylene 105.84
    ε-caprolactone 290.69
    p-cymene 98.21
    epichlorohydrin 360.99
    1,1,1-trichloroethane 207.69
    2-aminoethanol 61.39
    morpholine-4-carbaldehyde 394.52
    sulfolane 392.38
    2,2,4-trimethylpentane 19.28
    2-methyltetrahydrofuran 409.86
    n-hexyl acetate 210.4
    isooctane 18.45
    2-(2-butoxyethoxy)ethanol 199.33
    sec-butyl acetate 91.56
    tert-butyl acetate 163.26
    decalin 36.0
    glycerin 64.27
    diglyme 320.73
    acrylic acid 79.59
    isopropyl myristate 99.66
    n-butyric acid 135.25
    acetyl acetate 130.88
    di(2-ethylhexyl) phthalate 97.47
    ethyl propionate 116.67
    nitromethane 171.76
    1,2-diethoxyethane 183.35
    benzonitrile 175.75
    trioctyl phosphate 81.05
    1-bromopropane 172.86
    gamma-valerolactone 505.82
    n-decanol 76.28
    triethyl phosphate 85.62
    4-methyl-2-pentanol 69.13
    propionitrile 163.7
    vinylene carbonate 224.3
    1,1,2-trichlorotrifluoroethane 204.41
    DMS 155.77
    cumene 82.03
    2-octanol 79.52
    2-hexanone 122.36
    octyl acetate 120.79
    limonene 129.69
    1,2-dimethoxyethane 235.83
    ethyl orthosilicate 83.88
    tributyl phosphate 83.91
    diacetone alcohol 155.26
    N,N-dimethylaniline 136.43
    acrylonitrile 160.9
    aniline 161.53
    1,3-propanediol 89.53
    bromobenzene 219.39
    dibromomethane 259.71
    1,1,2,2-tetrachloroethane 293.66
    2-methyl-cyclohexyl acetate 150.18
    tetrabutyl urea 110.32
    diisobutyl methanol 82.59
    2-phenylethanol 162.56
    styrene 124.59
    dioctyl adipate 124.4
    dimethyl sulfate 137.07
    ethyl butyrate 141.93
    methyl lactate 94.57
    butyl lactate 119.11
    diethyl carbonate 100.92
    propanediol butyl ether 144.37
    triethyl orthoformate 116.9
    p-tert-butyltoluene 105.64
    methyl 4-tert-butylbenzoate 181.12
    morpholine 449.16
    tert-butylamine 113.96
    n-dodecanol 60.51
    dimethoxymethane 287.95
    ethylene carbonate 187.92
    cyrene 166.21
    2-ethoxyethyl acetate 177.04
    2-ethylhexyl acetate 162.29
    1,2,4-trichlorobenzene 196.82
    4-methylpyridine 297.79
    dibutyl ether 126.13
    2,6-dimethyl-4-heptanol 82.59
    DEF 192.0
    dimethyl isosorbide 307.25
    tetrachloroethylene 180.2
    eugenol 151.08
    triacetin 176.01
    span 80 166.94
    1,4-butanediol 33.88
    1,1-dichloroethane 202.52
    2-methyl-1-pentanol 79.61
    methyl formate 108.31
    2-methyl-1-butanol 104.87
    n-decane 28.36
    butyronitrile 160.29
    3,7-dimethyl-1-octanol 107.59
    1-chlorooctane 88.31
    1-chlorotetradecane 39.33
    n-nonane 26.98
    undecane 20.6
    tert-butylcyclohexane 32.62
    cyclooctane 31.07
    cyclopentanol 182.2
    tetrahydropyran 432.34
    tert-amyl methyl ether 128.02
    2,5,8-trioxanonane 230.46
    1-hexene 81.25
    2-isopropoxyethanol 93.12
    2,2,2-trifluoroethanol 40.02
    methyl butyrate 137.59

    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

Botanical

Name CAS Botanical Proportion
Cedarwood, Mulanje Widdringtonia whytei Rendle, fam. Cupressaceae 2.5%
Cedarwood Texas 1 Juniperus mexicana L., fam. Cupressaceae 4.2%
Cedarwood Virginia 1 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 3.55%
Cedarwood Virginia 2 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 4.8%
Cedarwood Virginia 4 8000-27-9 Juniperus virginiana L., fam. Cupressaceae 2.6%
Jamun fruit Syzygium cumini L., fam. Myrtaceae 0.33%
Mikania cordata leaf Mikania cordata (Burm.f.) B.L. Robinson var. cordata, fam. Asteraceae 0.1%
Cassinia laevis flower Cassinia laevis R.Br., fam. Asteraceae (Compositae) 7.0%
Cassinia laevis leaf Cassinia laevis R.Br., fam. Asteraceae (Compositae) 3.5%