2-((1R,3S,4R)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol

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  • Identifiers

    CAS number
    69686-19-7

    Molecular formula
    C15H26O

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

  • Odor profile

    Woody 79.32%
    Sweet 74.52%
    Citrus 68.3%
    Herbal 63.79%
    Floral 60.26%
    Green 52.07%
    Fresh 51.73%
    Terpenic 48.16%
    Spicy 47.21%
    Pine 45.54%

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  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point est.
    114.65 ˚C

  • Synonyms

    • 69686-25-5
    • 2-((1R,3S,4R)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol
    • rel-2-((1R,3S,4R)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol
    • 69686-19-7

  • Applications

    2-((1R,3S,4R)-4-Methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol (CAS 69686-19-7) is a tertiary terpene alcohol with a hydrophobic cyclohexyl core and two reactive olefinic handles, so it is commonly leveraged as a fragrance ingredient delivering fresh citrus–herbal–woody facets, diffusion and substantivity in fine fragrance, deodorants, personal care, household cleaners and laundry products, and can act as a mild co-fixative; in organic synthesis and materials science its hydroxyl and double bonds enable esterification to acrylates/methacrylates, ether formation, thiol–ene chemistry and radical polymerization to build hydrophobic mono/oligomers for UV-cured coatings, inks and adhesives, or to serve as an intermediate toward additives, surfactants and odorant derivatives; in R&D it is used as a GC/GC–MS reference (including chiral separations) and as a model for reaction kinetics on terpene frameworks, for sensory–stability evaluation versus the (1R,3S,4R) configuration, and as a potentially bio-based building block sourced from terpene streams (e.g., limonene/pinene); practical deployment should follow appropriate safety assessments and regulatory limits (e.g., IFRA/REACH/GHS) for the intended use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 567.08
    methanol 514.79
    isopropanol 508.22
    water 0.89
    ethyl acetate 401.9
    n-propanol 452.62
    acetone 380.85
    n-butanol 472.77
    acetonitrile 298.17
    DMF 504.34
    toluene 349.09
    isobutanol 332.39
    1,4-dioxane 1009.67
    methyl acetate 322.9
    THF 1680.43
    2-butanone 389.69
    n-pentanol 256.58
    sec-butanol 362.63
    n-hexane 71.76
    ethylene glycol 42.09
    NMP 414.45
    cyclohexane 140.18
    DMSO 288.93
    n-butyl acetate 434.05
    n-octanol 247.08
    chloroform 835.57
    n-propyl acetate 239.03
    acetic acid 206.58
    dichloromethane 579.6
    cyclohexanone 527.08
    propylene glycol 120.29
    isopropyl acetate 309.94
    DMAc 418.39
    2-ethoxyethanol 259.78
    isopentanol 403.78
    n-heptane 90.01
    ethyl formate 213.07
    1,2-dichloroethane 306.92
    n-hexanol 531.48
    2-methoxyethanol 506.8
    isobutyl acetate 202.06
    tetrachloromethane 158.24
    n-pentyl acetate 251.27
    transcutol 1211.74
    n-heptanol 243.45
    ethylbenzene 167.73
    MIBK 276.77
    2-propoxyethanol 612.09
    tert-butanol 590.04
    MTBE 538.3
    2-butoxyethanol 340.97
    propionic acid 186.96
    o-xylene 190.21
    formic acid 64.58
    diethyl ether 520.04
    m-xylene 255.37
    p-xylene 223.11
    chlorobenzene 300.35
    dimethyl carbonate 129.41
    n-octane 27.0
    formamide 101.41
    cyclopentanone 596.73
    2-pentanone 368.22
    anisole 296.4
    cyclopentyl methyl ether 555.77
    gamma-butyrolactone 563.32
    1-methoxy-2-propanol 501.81
    pyridine 499.06
    3-pentanone 255.67
    furfural 426.12
    n-dodecane 19.11
    diethylene glycol 294.41
    diisopropyl ether 191.07
    tert-amyl alcohol 394.57
    acetylacetone 338.02
    n-hexadecane 22.24
    acetophenone 220.84
    methyl propionate 281.42
    isopentyl acetate 400.43
    trichloroethylene 577.24
    n-nonanol 210.72
    cyclohexanol 373.21
    benzyl alcohol 206.5
    2-ethylhexanol 294.7
    isooctanol 189.52
    dipropyl ether 385.46
    1,2-dichlorobenzene 253.49
    ethyl lactate 121.21
    propylene carbonate 344.4
    n-methylformamide 198.55
    2-pentanol 313.58
    n-pentane 84.8
    1-propoxy-2-propanol 522.06
    1-methoxy-2-propyl acetate 457.09
    2-(2-methoxypropoxy) propanol 347.29
    mesitylene 162.99
    ε-caprolactone 451.53
    p-cymene 144.65
    epichlorohydrin 593.36
    1,1,1-trichloroethane 377.19
    2-aminoethanol 150.57
    morpholine-4-carbaldehyde 579.92
    sulfolane 433.67
    2,2,4-trimethylpentane 44.0
    2-methyltetrahydrofuran 880.1
    n-hexyl acetate 377.39
    isooctane 42.88
    2-(2-butoxyethoxy)ethanol 467.34
    sec-butyl acetate 195.67
    tert-butyl acetate 359.87
    decalin 57.67
    glycerin 142.63
    diglyme 743.57
    acrylic acid 127.26
    isopropyl myristate 159.87
    n-butyric acid 364.15
    acetyl acetate 238.71
    di(2-ethylhexyl) phthalate 160.11
    ethyl propionate 208.09
    nitromethane 290.04
    1,2-diethoxyethane 471.36
    benzonitrile 267.35
    trioctyl phosphate 123.57
    1-bromopropane 306.44
    gamma-valerolactone 723.84
    n-decanol 149.25
    triethyl phosphate 131.81
    4-methyl-2-pentanol 214.0
    propionitrile 320.33
    vinylene carbonate 304.16
    1,1,2-trichlorotrifluoroethane 320.94
    DMS 225.89
    cumene 119.9
    2-octanol 162.95
    2-hexanone 252.82
    octyl acetate 193.99
    limonene 204.22
    1,2-dimethoxyethane 545.43
    ethyl orthosilicate 141.66
    tributyl phosphate 134.62
    diacetone alcohol 354.45
    N,N-dimethylaniline 207.45
    acrylonitrile 257.73
    aniline 326.79
    1,3-propanediol 267.06
    bromobenzene 324.0
    dibromomethane 421.73
    1,1,2,2-tetrachloroethane 478.48
    2-methyl-cyclohexyl acetate 260.73
    tetrabutyl urea 166.26
    diisobutyl methanol 175.95
    2-phenylethanol 301.47
    styrene 185.57
    dioctyl adipate 202.79
    dimethyl sulfate 151.36
    ethyl butyrate 278.95
    methyl lactate 153.55
    butyl lactate 207.89
    diethyl carbonate 178.43
    propanediol butyl ether 339.55
    triethyl orthoformate 227.61
    p-tert-butyltoluene 158.14
    methyl 4-tert-butylbenzoate 275.64
    morpholine 1075.88
    tert-butylamine 433.91
    n-dodecanol 110.07
    dimethoxymethane 475.88
    ethylene carbonate 268.28
    cyrene 247.51
    2-ethoxyethyl acetate 317.33
    2-ethylhexyl acetate 321.41
    1,2,4-trichlorobenzene 294.62
    4-methylpyridine 531.83
    dibutyl ether 259.0
    2,6-dimethyl-4-heptanol 175.95
    DEF 343.13
    dimethyl isosorbide 548.86
    tetrachloroethylene 300.47
    eugenol 239.02
    triacetin 281.03
    span 80 345.3
    1,4-butanediol 78.09
    1,1-dichloroethane 391.72
    2-methyl-1-pentanol 225.7
    methyl formate 147.65
    2-methyl-1-butanol 323.16
    n-decane 37.25
    butyronitrile 396.09
    3,7-dimethyl-1-octanol 237.58
    1-chlorooctane 141.5
    1-chlorotetradecane 54.13
    n-nonane 36.39
    undecane 25.7
    tert-butylcyclohexane 59.15
    cyclooctane 52.57
    cyclopentanol 337.35
    tetrahydropyran 985.93
    tert-amyl methyl ether 332.16
    2,5,8-trioxanonane 498.21
    1-hexene 193.15
    2-isopropoxyethanol 219.24
    2,2,2-trifluoroethanol 71.6
    methyl butyrate 247.45

    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
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.07%