3-Cyclohexene-1-propanol, alpha,6,6-trimethyl-2-methylene-

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  • Identifiers

    CAS number
    57069-87-1

    Molecular formula
    C13H22O

    SMILES
    CC(CCC1C(=C)C=CCC1(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.87%
    Floral 50.45%
    Amber 40.79%
    Sweet 40.36%
    Dry 35.8%
    Violet 35.8%
    Sandalwood 35.68%
    Orris 35.17%
    Powdery 34.49%
    Fruity 33.25%

     

    Flavor
    Woody 70.83%
    Floral 66.35%
    Sweet 50.53%
    Tropical 43.79%
    Herbal 41.89%
    Wood 38.39%
    Green 32.12%
    Violet 31.91%
    Fresh 31.59%
    Spice 31.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.32 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    268°C

    Flash point

    • 118.55 ˚C est.

  • Synonyms

    • 57069-87-1
    • EINECS 260-538-9
    • 3-Cyclohexene-1-propanol, .alpha.,6,6-trimethyl-2-methylene-
    • DTXSID70886217
    • 3-Cyclohexene-1-propanol, alpha,6,6-trimethyl-2-methylene-
    • RefChem:500783
    • DTXCID001025554
    • alpha,6,6-Trimethyl-2-methylenecyclohex-3-ene-1-propan-1-ol
    • 4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)butan-2-ol
    • SCHEMBL11797893
    • MLNIJFIYPHXCKI-UHFFFAOYSA-N
    • NS00055393
    • 57069-87-1

  • Applications

    3-Cyclohexene-1-propanol, alpha,6,6-trimethyl-2-methylene- (CAS 57069-87-1) is primarily used as an intermediate in fragrance chemistry and perfumery, where its terpene-like cyclic scaffold and reactive alkenyl motifs support the synthesis of aroma compounds and fragrance fixatives. It is also evaluated as a precursor for specialty polymers and resins, enabling functionalized monomers for coatings and inks. In cosmetics and personal care, it may serve as a fragrance component or a building block for complex scent formulations. In industrial manufacturing, it can be used to introduce cyclic or alkenic motifs into organic syntheses and is sometimes explored as a reactive additive in polymer formulations for durable coatings. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1754.84
    methanol 1472.76
    isopropanol 1403.46
    water 0.68
    ethyl acetate 899.18
    n-propanol 1313.47
    acetone 1049.75
    n-butanol 1265.56
    acetonitrile 697.0
    DMF 884.41
    toluene 381.39
    isobutanol 847.17
    1,4-dioxane 1982.37
    methyl acetate 649.37
    THF 3387.96
    2-butanone 800.26
    n-pentanol 530.18
    sec-butanol 797.0
    n-hexane 86.09
    ethylene glycol 107.29
    NMP 507.57
    cyclohexane 180.29
    DMSO 615.29
    n-butyl acetate 858.48
    n-octanol 327.01
    chloroform 1118.86
    n-propyl acetate 413.85
    acetic acid 458.03
    dichloromethane 968.85
    cyclohexanone 885.96
    propylene glycol 278.82
    isopropyl acetate 569.61
    DMAc 465.98
    2-ethoxyethanol 530.93
    isopentanol 854.76
    n-heptane 123.06
    ethyl formate 496.42
    1,2-dichloroethane 552.93
    n-hexanol 1112.06
    2-methoxyethanol 1291.56
    isobutyl acetate 291.65
    tetrachloromethane 182.79
    n-pentyl acetate 333.05
    transcutol 2226.55
    n-heptanol 349.4
    ethylbenzene 144.09
    MIBK 483.4
    2-propoxyethanol 1234.93
    tert-butanol 1310.23
    MTBE 1072.12
    2-butoxyethanol 519.42
    propionic acid 402.28
    o-xylene 179.46
    formic acid 133.53
    diethyl ether 1238.18
    m-xylene 276.91
    p-xylene 173.26
    chlorobenzene 355.92
    dimethyl carbonate 196.37
    n-octane 34.17
    formamide 209.26
    cyclopentanone 1108.27
    2-pentanone 837.81
    anisole 325.83
    cyclopentyl methyl ether 999.0
    gamma-butyrolactone 1053.61
    1-methoxy-2-propanol 1091.98
    pyridine 740.76
    3-pentanone 451.98
    furfural 613.13
    n-dodecane 23.2
    diethylene glycol 544.5
    diisopropyl ether 329.72
    tert-amyl alcohol 709.99
    acetylacetone 603.86
    n-hexadecane 26.73
    acetophenone 227.1
    methyl propionate 560.72
    isopentyl acetate 667.82
    trichloroethylene 855.54
    n-nonanol 259.58
    cyclohexanol 652.78
    benzyl alcohol 235.66
    2-ethylhexanol 477.72
    isooctanol 249.21
    dipropyl ether 744.73
    1,2-dichlorobenzene 268.89
    ethyl lactate 157.83
    propylene carbonate 538.29
    n-methylformamide 474.44
    2-pentanol 688.08
    n-pentane 125.08
    1-propoxy-2-propanol 962.38
    1-methoxy-2-propyl acetate 728.7
    2-(2-methoxypropoxy) propanol 411.02
    mesitylene 167.28
    ε-caprolactone 712.07
    p-cymene 150.84
    epichlorohydrin 1207.47
    1,1,1-trichloroethane 520.08
    2-aminoethanol 395.43
    morpholine-4-carbaldehyde 790.7
    sulfolane 644.91
    2,2,4-trimethylpentane 53.08
    2-methyltetrahydrofuran 1812.63
    n-hexyl acetate 490.55
    isooctane 61.02
    2-(2-butoxyethoxy)ethanol 657.5
    sec-butyl acetate 272.84
    tert-butyl acetate 582.39
    decalin 55.85
    glycerin 277.74
    diglyme 1008.39
    acrylic acid 221.59
    isopropyl myristate 188.05
    n-butyric acid 851.97
    acetyl acetate 375.15
    di(2-ethylhexyl) phthalate 174.13
    ethyl propionate 320.26
    nitromethane 615.1
    1,2-diethoxyethane 939.16
    benzonitrile 335.58
    trioctyl phosphate 143.38
    1-bromopropane 526.72
    gamma-valerolactone 1205.27
    n-decanol 187.34
    triethyl phosphate 148.56
    4-methyl-2-pentanol 371.58
    propionitrile 656.72
    vinylene carbonate 438.49
    1,1,2-trichlorotrifluoroethane 459.61
    DMS 265.92
    cumene 105.76
    2-octanol 206.44
    2-hexanone 406.51
    octyl acetate 235.5
    limonene 270.31
    1,2-dimethoxyethane 950.63
    ethyl orthosilicate 163.01
    tributyl phosphate 166.76
    diacetone alcohol 553.29
    N,N-dimethylaniline 193.49
    acrylonitrile 486.92
    aniline 444.44
    1,3-propanediol 715.93
    bromobenzene 367.91
    dibromomethane 692.13
    1,1,2,2-tetrachloroethane 646.91
    2-methyl-cyclohexyl acetate 309.46
    tetrabutyl urea 193.49
    diisobutyl methanol 262.99
    2-phenylethanol 377.04
    styrene 171.96
    dioctyl adipate 234.68
    dimethyl sulfate 188.14
    ethyl butyrate 461.63
    methyl lactate 221.11
    butyl lactate 259.86
    diethyl carbonate 252.48
    propanediol butyl ether 483.41
    triethyl orthoformate 307.38
    p-tert-butyltoluene 168.25
    methyl 4-tert-butylbenzoate 275.45
    morpholine 2311.25
    tert-butylamine 933.11
    n-dodecanol 141.76
    dimethoxymethane 1053.44
    ethylene carbonate 421.68
    cyrene 269.64
    2-ethoxyethyl acetate 448.11
    2-ethylhexyl acetate 496.73
    1,2,4-trichlorobenzene 305.52
    4-methylpyridine 712.66
    dibutyl ether 412.0
    2,6-dimethyl-4-heptanol 262.99
    DEF 592.28
    dimethyl isosorbide 674.52
    tetrachloroethylene 397.22
    eugenol 250.09
    triacetin 332.32
    span 80 407.61
    1,4-butanediol 162.74
    1,1-dichloroethane 665.97
    2-methyl-1-pentanol 389.73
    methyl formate 339.39
    2-methyl-1-butanol 666.8
    n-decane 45.74
    butyronitrile 874.12
    3,7-dimethyl-1-octanol 307.36
    1-chlorooctane 178.97
    1-chlorotetradecane 65.51
    n-nonane 46.83
    undecane 31.1
    tert-butylcyclohexane 60.29
    cyclooctane 61.46
    cyclopentanol 661.58
    tetrahydropyran 2190.16
    tert-amyl methyl ether 528.96
    2,5,8-trioxanonane 634.51
    1-hexene 288.38
    2-isopropoxyethanol 365.08
    2,2,2-trifluoroethanol 104.18
    methyl butyrate 412.27

    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