(1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol

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  • Identifiers

    CAS number
    57605-80-8

    Molecular formula
    C20H34O2

    SMILES
    C/C/1=C/CC/C(=C\[C@@H](C[C@](/C=C\[C@@H](CC1)C(C)C)(C)O)O)/C

  • Odor profile

    Herbal 65.57%
    Floral 57.39%
    Spicy 44.92%
    Mint 41.49%
    Woody 41.15%
    Fresh 39.74%
    Citrus 35.94%
    Earthy 31.52%
    Clean 29.86%
    Natural 29.66%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    306.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    432°C

    Flash point est.
    161.84 ˚C

  • Synonyms

    • 57605-80-8
    • 2,7,11-Cembratriene-4,6-diol
    • CCRIS 5452
    • alpha-2,7,11-Cembratriene-4,6-diol
    • (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
    • alpha-Cembrenediol
    • alpha -Cembrenediol
    • (1S-(1R*,3S*,4E,8E,12R*,13E))-1,5,9-trimethyl-12-(1-methylethyl)-4,8,13-cyclotetradecatriene-1,3-diol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 494.01
    methanol 402.95
    isopropanol 276.15
    water 0.18
    ethyl acetate 218.74
    n-propanol 304.64
    acetone 242.5
    n-butanol 296.39
    acetonitrile 70.03
    DMF 229.21
    toluene 123.08
    isobutanol 190.53
    1,4-dioxane 564.88
    methyl acetate 143.64
    THF 1021.12
    2-butanone 220.77
    n-pentanol 212.02
    sec-butanol 202.17
    n-hexane 32.55
    ethylene glycol 18.38
    NMP 206.29
    cyclohexane 50.82
    DMSO 255.9
    n-butyl acetate 254.77
    n-octanol 165.96
    chloroform 252.34
    n-propyl acetate 168.6
    acetic acid 145.59
    dichloromethane 175.64
    cyclohexanone 298.39
    propylene glycol 76.24
    isopropyl acetate 191.21
    DMAc 259.16
    2-ethoxyethanol 268.71
    isopentanol 239.08
    n-heptane 37.03
    ethyl formate 96.62
    1,2-dichloroethane 131.35
    n-hexanol 310.95
    2-methoxyethanol 433.05
    isobutyl acetate 157.93
    tetrachloromethane 36.06
    n-pentyl acetate 179.63
    transcutol 1369.23
    n-heptanol 168.41
    ethylbenzene 70.41
    MIBK 194.29
    2-propoxyethanol 477.19
    tert-butanol 311.61
    MTBE 297.5
    2-butoxyethanol 306.65
    propionic acid 103.23
    o-xylene 75.45
    formic acid 38.98
    diethyl ether 330.38
    m-xylene 103.04
    p-xylene 87.33
    chlorobenzene 106.51
    dimethyl carbonate 61.82
    n-octane 13.21
    formamide 48.82
    cyclopentanone 309.85
    2-pentanone 237.27
    anisole 159.16
    cyclopentyl methyl ether 321.91
    gamma-butyrolactone 258.13
    1-methoxy-2-propanol 412.11
    pyridine 223.16
    3-pentanone 142.52
    furfural 206.55
    n-dodecane 10.42
    diethylene glycol 220.81
    diisopropyl ether 109.65
    tert-amyl alcohol 223.75
    acetylacetone 219.82
    n-hexadecane 11.95
    acetophenone 131.1
    methyl propionate 148.93
    isopentyl acetate 264.09
    trichloroethylene 214.48
    n-nonanol 153.43
    cyclohexanol 192.24
    benzyl alcohol 123.9
    2-ethylhexanol 183.23
    isooctanol 142.37
    dipropyl ether 254.01
    1,2-dichlorobenzene 91.94
    ethyl lactate 93.06
    propylene carbonate 165.66
    n-methylformamide 85.8
    2-pentanol 177.35
    n-pentane 30.26
    1-propoxy-2-propanol 411.48
    1-methoxy-2-propyl acetate 316.29
    2-(2-methoxypropoxy) propanol 306.38
    mesitylene 74.68
    ε-caprolactone 258.77
    p-cymene 72.79
    epichlorohydrin 324.42
    1,1,1-trichloroethane 123.51
    2-aminoethanol 91.02
    morpholine-4-carbaldehyde 335.81
    sulfolane 256.72
    2,2,4-trimethylpentane 19.81
    2-methyltetrahydrofuran 493.41
    n-hexyl acetate 268.7
    isooctane 19.28
    2-(2-butoxyethoxy)ethanol 455.28
    sec-butyl acetate 144.4
    tert-butyl acetate 236.83
    decalin 26.15
    glycerin 98.24
    diglyme 625.81
    acrylic acid 62.92
    isopropyl myristate 112.41
    n-butyric acid 232.8
    acetyl acetate 126.4
    di(2-ethylhexyl) phthalate 115.41
    ethyl propionate 131.35
    nitromethane 150.23
    1,2-diethoxyethane 412.81
    benzonitrile 112.13
    trioctyl phosphate 88.15
    1-bromopropane 113.65
    gamma-valerolactone 443.87
    n-decanol 111.55
    triethyl phosphate 88.74
    4-methyl-2-pentanol 133.73
    propionitrile 96.38
    vinylene carbonate 128.82
    1,1,2-trichlorotrifluoroethane 195.85
    DMS 136.4
    cumene 60.97
    2-octanol 112.38
    2-hexanone 180.57
    octyl acetate 146.05
    limonene 111.57
    1,2-dimethoxyethane 447.8
    ethyl orthosilicate 101.23
    tributyl phosphate 96.07
    diacetone alcohol 258.03
    N,N-dimethylaniline 116.69
    acrylonitrile 75.05
    aniline 136.05
    1,3-propanediol 189.57
    bromobenzene 99.14
    dibromomethane 125.2
    1,1,2,2-tetrachloroethane 212.68
    2-methyl-cyclohexyl acetate 181.37
    tetrabutyl urea 117.87
    diisobutyl methanol 107.35
    2-phenylethanol 177.4
    styrene 77.36
    dioctyl adipate 155.99
    dimethyl sulfate 77.33
    ethyl butyrate 178.72
    methyl lactate 96.32
    butyl lactate 168.85
    diethyl carbonate 105.13
    propanediol butyl ether 290.84
    triethyl orthoformate 165.68
    p-tert-butyltoluene 78.72
    methyl 4-tert-butylbenzoate 188.45
    morpholine 655.07
    tert-butylamine 178.7
    n-dodecanol 82.67
    dimethoxymethane 321.17
    ethylene carbonate 125.83
    cyrene 183.17
    2-ethoxyethyl acetate 253.75
    2-ethylhexyl acetate 204.2
    1,2,4-trichlorobenzene 113.12
    4-methylpyridine 211.83
    dibutyl ether 191.89
    2,6-dimethyl-4-heptanol 107.35
    DEF 190.02
    dimethyl isosorbide 411.48
    tetrachloroethylene 129.12
    eugenol 181.96
    triacetin 219.41
    span 80 295.9
    1,4-butanediol 61.85
    1,1-dichloroethane 127.24
    2-methyl-1-pentanol 178.96
    methyl formate 60.66
    2-methyl-1-butanol 195.98
    n-decane 21.28
    butyronitrile 151.99
    3,7-dimethyl-1-octanol 160.35
    1-chlorooctane 85.27
    1-chlorotetradecane 33.09
    n-nonane 19.44
    undecane 14.32
    tert-butylcyclohexane 29.51
    cyclooctane 19.21
    cyclopentanol 175.64
    tetrahydropyran 605.54
    tert-amyl methyl ether 195.56
    2,5,8-trioxanonane 441.17
    1-hexene 102.67
    2-isopropoxyethanol 215.19
    2,2,2-trifluoroethanol 28.66
    methyl butyrate 156.87

    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
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.8%