Occidentalol

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  • Identifiers

    CAS number
    473-17-6

    Molecular formula
    C15H24O

    SMILES
    CC1=CC=C[C@@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C

    Retention indicies (RI)

    • DB5: 1548.0
    • Carbowax: 2090.0

  • Odor profile

    Fragrance
    Woody 76.01%
    Sweet 62.07%
    Spicy 50.38%
    Herbal 48.75%
    Floral 43.87%
    Balsamic 39.53%
    Fresh 39.38%
    Citrus 39.37%
    Pine 36.27%
    Dry 32.53%

     

    Flavor
    Wood 37.43%
    Woody 35.73%
    Sweet 35.24%
    Pine 31.63%
    Green 28.88%
    Fresh 28.49%
    Herb 26.67%
    Mint 25.89%
    Citrus 25.27%
    Herbal 24.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.63 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 123.97 ˚C est.

  • Synonyms

    • Occidentalol
    • (+)-Occidentalol
    • Occidentalol, (+)-
    • M413F1EX1M
    • UNII-M413F1EX1M
    • 473-17-6
    • (2R,4aR,8aS)-1,2,3,4,4a,8a-Hexahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
    • (2R,4AR,8AS)-1,2,3,4,4A,8A-HEXAHYDRO-.ALPHA.,.ALPHA.,4A,8-TETRAMETHYL-2-NAPHTHALENEMETHANOL
    • 2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aR,8aS)- 10alpha-eudesma-1,3-dien-11-ol
    • 2-((2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propan-2-ol
    • 2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol
    • SCHEMBL6511459
    • Q27896794
    • 2-NAPHTHALENEMETHANOL, 1,2,3,4,4A,8A-HEXAHYDRO-.ALPHA.,.ALPHA.,4A,8-TETRAMETHYL-, (2R,4AR,8AS)- 10.ALPHA.-EUDESMA-1,3-DIEN-11-OL
    • 2-NAPHTHALENEMETHANOL, 1,2,3,4,4A,8A-HEXAHYDRO-.ALPHA.,.ALPHA.,4A,8-TETRAMETHYL-, (2R,4AR,8AS)-10.ALPHA.-EUDESMA-1,3-DIEN-11-OL
    • 2-NAPHTHALENEMETHANOL, 1,2,3,4,4A,8A-HEXAHYDRO-ALPHA,ALPHA,4A,8-TETRAMETHYL-, (2R,4AR,8AS)-10ALPHA-EUDESMA-1,3-DIEN-11-OL

  • Applications

    Occidentalol (CAS 473-17-6) is used primarily as an odorant and fixative in perfumery and fragrance formulations, and may serve as a solvent or processing aid in industrial manufacturing; in cosmetics and personal care, it is commonly used as a fragrance ingredient or scent modifier; in household products it also functions as a fragrance component; in the polymers/plastics and coatings/inks sectors it can act as an additive or processing aid; and it may be evaluated as an intermediate in chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.07
    methanol 125.69
    isopropanol 88.87
    water 0.46
    ethyl acetate 164.14
    n-propanol 105.68
    acetone 150.71
    n-butanol 112.32
    acetonitrile 119.76
    DMF 183.45
    toluene 214.96
    isobutanol 70.95
    1,4-dioxane 488.6
    methyl acetate 147.65
    THF 645.69
    2-butanone 158.22
    n-pentanol 61.18
    sec-butanol 69.53
    n-hexane 18.69
    ethylene glycol 10.45
    NMP 166.57
    cyclohexane 56.14
    DMSO 95.64
    n-butyl acetate 175.74
    n-octanol 78.87
    chloroform 389.71
    n-propyl acetate 90.47
    acetic acid 64.13
    dichloromethane 288.04
    cyclohexanone 234.52
    propylene glycol 23.51
    isopropyl acetate 113.11
    DMAc 178.36
    2-ethoxyethanol 84.87
    isopentanol 91.95
    n-heptane 31.33
    ethyl formate 84.01
    1,2-dichloroethane 140.57
    n-hexanol 161.21
    2-methoxyethanol 164.72
    isobutyl acetate 83.27
    tetrachloromethane 59.78
    n-pentyl acetate 108.84
    transcutol 633.27
    n-heptanol 83.54
    ethylbenzene 83.09
    MIBK 96.91
    2-propoxyethanol 231.32
    tert-butanol 103.62
    MTBE 139.49
    2-butoxyethanol 138.06
    propionic acid 57.15
    o-xylene 105.4
    formic acid 21.16
    diethyl ether 187.18
    m-xylene 131.68
    p-xylene 105.33
    chlorobenzene 169.8
    dimethyl carbonate 63.43
    n-octane 11.25
    formamide 42.14
    cyclopentanone 258.96
    2-pentanone 139.84
    anisole 165.99
    cyclopentyl methyl ether 224.32
    gamma-butyrolactone 234.35
    1-methoxy-2-propanol 146.98
    pyridine 280.44
    3-pentanone 115.46
    furfural 211.24
    n-dodecane 9.14
    diethylene glycol 107.75
    diisopropyl ether 64.35
    tert-amyl alcohol 74.09
    acetylacetone 149.84
    n-hexadecane 10.76
    acetophenone 122.67
    methyl propionate 129.89
    isopentyl acetate 170.42
    trichloroethylene 279.59
    n-nonanol 75.95
    cyclohexanol 100.91
    benzyl alcohol 93.98
    2-ethylhexanol 102.67
    isooctanol 64.97
    dipropyl ether 156.08
    1,2-dichlorobenzene 136.46
    ethyl lactate 46.63
    propylene carbonate 141.85
    n-methylformamide 72.74
    2-pentanol 65.47
    n-pentane 24.33
    1-propoxy-2-propanol 182.57
    1-methoxy-2-propyl acetate 214.57
    2-(2-methoxypropoxy) propanol 163.4
    mesitylene 82.6
    ε-caprolactone 196.96
    p-cymene 72.88
    epichlorohydrin 276.79
    1,1,1-trichloroethane 161.22
    2-aminoethanol 35.12
    morpholine-4-carbaldehyde 279.94
    sulfolane 175.46
    2,2,4-trimethylpentane 13.7
    2-methyltetrahydrofuran 321.66
    n-hexyl acetate 163.79
    isooctane 13.15
    2-(2-butoxyethoxy)ethanol 215.14
    sec-butyl acetate 79.91
    tert-butyl acetate 129.36
    decalin 23.43
    glycerin 34.44
    diglyme 361.72
    acrylic acid 46.05
    isopropyl myristate 73.95
    n-butyric acid 107.74
    acetyl acetate 112.01
    di(2-ethylhexyl) phthalate 80.14
    ethyl propionate 89.9
    nitromethane 122.12
    1,2-diethoxyethane 240.74
    benzonitrile 142.14
    trioctyl phosphate 52.63
    1-bromopropane 122.62
    gamma-valerolactone 359.0
    n-decanol 56.67
    triethyl phosphate 71.22
    4-methyl-2-pentanol 53.11
    propionitrile 123.5
    vinylene carbonate 151.47
    1,1,2-trichlorotrifluoroethane 119.51
    DMS 119.64
    cumene 57.39
    2-octanol 50.06
    2-hexanone 96.17
    octyl acetate 90.41
    limonene 90.94
    1,2-dimethoxyethane 218.05
    ethyl orthosilicate 73.23
    tributyl phosphate 60.84
    diacetone alcohol 112.27
    N,N-dimethylaniline 104.49
    acrylonitrile 117.39
    aniline 156.91
    1,3-propanediol 65.73
    bromobenzene 187.46
    dibromomethane 194.22
    1,1,2,2-tetrachloroethane 215.24
    2-methyl-cyclohexyl acetate 127.9
    tetrabutyl urea 74.85
    diisobutyl methanol 63.79
    2-phenylethanol 143.9
    styrene 99.59
    dioctyl adipate 101.3
    dimethyl sulfate 69.32
    ethyl butyrate 130.41
    methyl lactate 57.01
    butyl lactate 85.48
    diethyl carbonate 88.54
    propanediol butyl ether 114.51
    triethyl orthoformate 109.87
    p-tert-butyltoluene 77.13
    methyl 4-tert-butylbenzoate 133.03
    morpholine 436.54
    tert-butylamine 82.76
    n-dodecanol 43.28
    dimethoxymethane 218.33
    ethylene carbonate 125.18
    cyrene 114.56
    2-ethoxyethyl acetate 162.35
    2-ethylhexyl acetate 146.13
    1,2,4-trichlorobenzene 158.13
    4-methylpyridine 266.39
    dibutyl ether 106.37
    2,6-dimethyl-4-heptanol 63.79
    DEF 132.92
    dimethyl isosorbide 294.14
    tetrachloroethylene 134.72
    eugenol 122.81
    triacetin 151.49
    span 80 146.64
    1,4-butanediol 19.62
    1,1-dichloroethane 152.49
    2-methyl-1-pentanol 62.04
    methyl formate 57.79
    2-methyl-1-butanol 77.45
    n-decane 16.59
    butyronitrile 139.77
    3,7-dimethyl-1-octanol 83.52
    1-chlorooctane 56.3
    1-chlorotetradecane 24.78
    n-nonane 14.98
    undecane 11.95
    tert-butylcyclohexane 22.21
    cyclooctane 22.72
    cyclopentanol 91.04
    tetrahydropyran 400.17
    tert-amyl methyl ether 96.07
    2,5,8-trioxanonane 255.14
    1-hexene 55.04
    2-isopropoxyethanol 74.23
    2,2,2-trifluoroethanol 24.67
    methyl butyrate 98.48

    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
Cedarleaf 2 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 3.3%
Cedarleaf (Canada) 5 wood Thuja occidentalis L., fam. Taxodiaceae 23.94%
Teucrium carolipaui (Spain) Teucrium carolipaui Pau, fam. Lamiaceae (Labiatae) 1.8%