(1R,2Z,4S,7E,11E)-4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol

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  • Identifiers

    CAS number
    25269-17-4

    Molecular formula
    C20H34O

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

  • Odor profile

    Herbal 67.31%
    Woody 61.43%
    Spicy 51.98%
    Citrus 51.22%
    Floral 47.46%
    Fresh 42.54%
    Lemon 40.99%
    Terpenic 37.17%
    Mint 34.95%
    Earthy 33.58%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    10.51 (weak base)

    Molecular weight
    290.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point est.
    145.59 ˚C

  • Synonyms

    • 25269-17-4
    • (1R,2Z,4S,7E,11E)-4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol
    • (1R,2E,4S,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-trien-1-ol
    • (1R,2Z,4S,7Z,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
    • NS00114118

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.11
    methanol 179.04
    isopropanol 260.77
    water 0.04
    ethyl acetate 505.7
    n-propanol 295.16
    acetone 203.78
    n-butanol 357.38
    acetonitrile 84.31
    DMF 106.06
    toluene 352.78
    isobutanol 195.58
    1,4-dioxane 836.85
    methyl acetate 209.62
    THF 1235.59
    2-butanone 328.13
    n-pentanol 246.52
    sec-butanol 270.81
    n-hexane 118.03
    ethylene glycol 7.5
    NMP 127.47
    cyclohexane 179.97
    DMSO 128.98
    n-butyl acetate 615.86
    n-octanol 200.74
    chloroform 546.07
    n-propyl acetate 304.88
    acetic acid 86.44
    dichloromethane 424.02
    cyclohexanone 401.72
    propylene glycol 32.41
    isopropyl acetate 421.52
    DMAc 210.58
    2-ethoxyethanol 247.76
    isopentanol 314.82
    n-heptane 139.86
    ethyl formate 117.8
    1,2-dichloroethane 275.89
    n-hexanol 441.12
    2-methoxyethanol 299.25
    isobutyl acetate 267.64
    tetrachloromethane 80.9
    n-pentyl acetate 344.18
    transcutol 2021.1
    n-heptanol 215.62
    ethylbenzene 211.86
    MIBK 325.97
    2-propoxyethanol 528.1
    tert-butanol 317.87
    MTBE 683.45
    2-butoxyethanol 350.3
    propionic acid 78.86
    o-xylene 194.01
    formic acid 14.92
    diethyl ether 880.83
    m-xylene 262.48
    p-xylene 211.44
    chlorobenzene 212.2
    dimethyl carbonate 54.6
    n-octane 42.94
    formamide 25.86
    cyclopentanone 289.95
    2-pentanone 397.5
    anisole 327.42
    cyclopentyl methyl ether 517.79
    gamma-butyrolactone 231.52
    1-methoxy-2-propanol 338.47
    pyridine 408.82
    3-pentanone 252.08
    furfural 204.65
    n-dodecane 28.72
    diethylene glycol 155.09
    diisopropyl ether 303.44
    tert-amyl alcohol 293.73
    acetylacetone 291.3
    n-hexadecane 33.53
    acetophenone 219.87
    methyl propionate 226.23
    isopentyl acetate 617.78
    trichloroethylene 382.67
    n-nonanol 207.85
    cyclohexanol 237.81
    benzyl alcohol 154.96
    2-ethylhexanol 339.41
    isooctanol 196.71
    dipropyl ether 693.59
    1,2-dichlorobenzene 179.6
    ethyl lactate 88.51
    propylene carbonate 170.52
    n-methylformamide 45.94
    2-pentanol 269.53
    n-pentane 105.52
    1-propoxy-2-propanol 529.95
    1-methoxy-2-propyl acetate 577.18
    2-(2-methoxypropoxy) propanol 423.74
    mesitylene 177.61
    ε-caprolactone 387.27
    p-cymene 188.59
    epichlorohydrin 419.07
    1,1,1-trichloroethane 274.29
    2-aminoethanol 44.84
    morpholine-4-carbaldehyde 324.49
    sulfolane 197.11
    2,2,4-trimethylpentane 58.41
    2-methyltetrahydrofuran 832.78
    n-hexyl acetate 472.71
    isooctane 54.11
    2-(2-butoxyethoxy)ethanol 608.3
    sec-butyl acetate 308.82
    tert-butyl acetate 485.41
    decalin 87.74
    glycerin 43.21
    diglyme 987.39
    acrylic acid 38.21
    isopropyl myristate 223.05
    n-butyric acid 278.71
    acetyl acetate 233.86
    di(2-ethylhexyl) phthalate 176.29
    ethyl propionate 264.27
    nitromethane 104.33
    1,2-diethoxyethane 1046.6
    benzonitrile 175.31
    trioctyl phosphate 117.66
    1-bromopropane 356.28
    gamma-valerolactone 471.01
    n-decanol 153.61
    triethyl phosphate 161.22
    4-methyl-2-pentanol 199.68
    propionitrile 142.61
    vinylene carbonate 134.41
    1,1,2-trichlorotrifluoroethane 169.35
    DMS 207.35
    cumene 155.86
    2-octanol 146.6
    2-hexanone 307.82
    octyl acetate 257.04
    limonene 277.76
    1,2-dimethoxyethane 589.29
    ethyl orthosilicate 193.34
    tributyl phosphate 141.97
    diacetone alcohol 322.75
    N,N-dimethylaniline 225.62
    acrylonitrile 91.73
    aniline 222.63
    1,3-propanediol 128.04
    bromobenzene 257.05
    dibromomethane 328.89
    1,1,2,2-tetrachloroethane 364.44
    2-methyl-cyclohexyl acetate 351.93
    tetrabutyl urea 172.86
    diisobutyl methanol 215.4
    2-phenylethanol 268.57
    styrene 216.02
    dioctyl adipate 290.9
    dimethyl sulfate 58.67
    ethyl butyrate 448.48
    methyl lactate 70.25
    butyl lactate 200.68
    diethyl carbonate 235.12
    propanediol butyl ether 237.48
    triethyl orthoformate 365.32
    p-tert-butyltoluene 196.78
    methyl 4-tert-butylbenzoate 291.26
    morpholine 921.08
    tert-butylamine 250.68
    n-dodecanol 118.03
    dimethoxymethane 278.4
    ethylene carbonate 137.27
    cyrene 185.37
    2-ethoxyethyl acetate 471.4
    2-ethylhexyl acetate 503.78
    1,2,4-trichlorobenzene 205.56
    4-methylpyridine 416.96
    dibutyl ether 464.46
    2,6-dimethyl-4-heptanol 215.4
    DEF 285.63
    dimethyl isosorbide 584.48
    tetrachloroethylene 213.47
    eugenol 238.89
    triacetin 344.74
    span 80 378.58
    1,4-butanediol 36.8
    1,1-dichloroethane 272.87
    2-methyl-1-pentanol 256.84
    methyl formate 30.13
    2-methyl-1-butanol 264.2
    n-decane 57.76
    butyronitrile 241.08
    3,7-dimethyl-1-octanol 263.04
    1-chlorooctane 181.36
    1-chlorotetradecane 72.56
    n-nonane 55.8
    undecane 38.48
    tert-butylcyclohexane 90.14
    cyclooctane 74.62
    cyclopentanol 159.88
    tetrahydropyran 1106.68
    tert-amyl methyl ether 461.24
    2,5,8-trioxanonane 658.43
    1-hexene 305.6
    2-isopropoxyethanol 229.85
    2,2,2-trifluoroethanol 16.17
    methyl butyrate 290.85

    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
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.5%