3-Cyclohexen-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    822-66-2

    Molecular formula
    C6H10O

    SMILES
    C1CC(CC=C1)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 48.64%
    Fruity 48.11%
    Mint 43.8%
    Herbal 38.77%
    Green 38.05%
    Fermented 31.2%
    Camphoreous 31.16%
    Phenolic 30.58%
    Musty 29.39%
    Earthy 28.17%

     

    Flavor
    Minty 32.57%
    Bitter 30.15%
    Camphor 27.22%
    Mint 25.34%
    Medicinal 24.86%
    Animal 23.62%
    Ammoniacal 23.05%
    Shrimp 21.81%
    Phenol 21.35%
    Alkaline 21.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.84 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    165°C

    Flash point

    • 62.52 ˚C est.

  • Synonyms

    • 3-Cyclohexen-1-ol
    • Cyclohex-3-en-1-ol
    • 3-Cyclohexenol
    • Cyclohexen-4-ol
    • 4-Hydroxycyclohexene
    • 3-Cyclohexene-1-ol
    • Cyclohex-1-en-4-ol
    • DTXSID90339513
    • RefChem:278739
    • DTXCID90290594
    • 976-234-0
    • ABZZOPIABWYXSN-UHFFFAOYSA-N
    • 822-66-2
    • 1-HYDROXY-3-CYCLOHEXENE
    • MFCD00040176
    • SCHEMBL215206
    • SCHEMBL215207
    • SCHEMBL1144296
    • SCHEMBL1144522
    • SCHEMBL1144656
    • SCHEMBL2582555
    • SCHEMBL7159917
    • SCHEMBL27581524
    • AKOS006272604
    • SB83783
    • SY264800
    • DB-075829
    • CS-0161778
    • D83542
    • 822H662
    • F546563
    • 822-66-2

  • Applications

    3-Cyclohexen-1-ol (CAS 822-66-2) is primarily used as a building block and intermediate in fragrance and specialty chemical synthesis. In perfumery and cosmetics, it serves as a precursor to aroma compounds with green, grassy, or herbal notes and can function as a fragrance ingredient in personal care products. It is also used as a starting material to prepare esters and other derivatives for applications in coatings, inks, and adhesives, and as a reactive intermediate in industrial manufacturing and formulation development. In the broader chemical sector, it is considered a functional building block for specialty chemicals and polymers in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1501.67
    methanol 1506.56
    isopropanol 810.8
    water 8.87
    ethyl acetate 568.8
    n-propanol 926.38
    acetone 613.42
    n-butanol 955.86
    acetonitrile 447.3
    DMF 487.11
    toluene 94.63
    isobutanol 470.78
    1,4-dioxane 751.82
    methyl acetate 408.73
    THF 1061.54
    2-butanone 454.17
    n-pentanol 528.86
    sec-butanol 556.77
    n-hexane 71.67
    ethylene glycol 199.97
    NMP 341.14
    cyclohexane 63.26
    DMSO 631.01
    n-butyl acetate 518.21
    n-octanol 177.9
    chloroform 805.46
    n-propyl acetate 289.43
    acetic acid 848.17
    dichloromethane 499.05
    cyclohexanone 442.09
    propylene glycol 270.98
    isopropyl acetate 256.96
    DMAc 272.12
    2-ethoxyethanol 516.01
    isopentanol 540.69
    n-heptane 75.21
    ethyl formate 355.41
    1,2-dichloroethane 275.32
    n-hexanol 597.64
    2-methoxyethanol 916.13
    isobutyl acetate 151.04
    tetrachloromethane 142.2
    n-pentyl acetate 209.06
    transcutol 1458.9
    n-heptanol 225.01
    ethylbenzene 35.59
    MIBK 211.54
    2-propoxyethanol 675.63
    tert-butanol 586.44
    MTBE 344.89
    2-butoxyethanol 338.74
    propionic acid 611.5
    o-xylene 58.87
    formic acid 373.12
    diethyl ether 639.42
    m-xylene 72.03
    p-xylene 48.94
    chlorobenzene 142.68
    dimethyl carbonate 74.25
    n-octane 21.96
    formamide 377.38
    cyclopentanone 556.48
    2-pentanone 484.68
    anisole 109.59
    cyclopentyl methyl ether 416.15
    gamma-butyrolactone 611.57
    1-methoxy-2-propanol 611.04
    pyridine 414.48
    3-pentanone 264.36
    furfural 400.05
    n-dodecane 14.68
    diethylene glycol 451.2
    diisopropyl ether 127.86
    tert-amyl alcohol 374.24
    acetylacetone 292.92
    n-hexadecane 15.48
    acetophenone 93.98
    methyl propionate 325.3
    isopentyl acetate 270.07
    trichloroethylene 458.38
    n-nonanol 149.49
    cyclohexanol 367.15
    benzyl alcohol 128.44
    2-ethylhexanol 259.49
    isooctanol 153.41
    dipropyl ether 348.89
    1,2-dichlorobenzene 95.01
    ethyl lactate 100.86
    propylene carbonate 293.85
    n-methylformamide 498.05
    2-pentanol 506.36
    n-pentane 86.27
    1-propoxy-2-propanol 519.78
    1-methoxy-2-propyl acetate 255.56
    2-(2-methoxypropoxy) propanol 202.49
    mesitylene 44.89
    ε-caprolactone 397.99
    p-cymene 45.99
    epichlorohydrin 519.85
    1,1,1-trichloroethane 255.29
    2-aminoethanol 503.9
    morpholine-4-carbaldehyde 413.72
    sulfolane 377.16
    2,2,4-trimethylpentane 27.03
    2-methyltetrahydrofuran 639.53
    n-hexyl acetate 219.27
    isooctane 29.08
    2-(2-butoxyethoxy)ethanol 363.88
    sec-butyl acetate 149.57
    tert-butyl acetate 193.24
    decalin 21.03
    glycerin 315.55
    diglyme 551.6
    acrylic acid 399.48
    isopropyl myristate 68.34
    n-butyric acid 867.06
    acetyl acetate 210.82
    di(2-ethylhexyl) phthalate 63.3
    ethyl propionate 183.36
    nitromethane 789.39
    1,2-diethoxyethane 502.81
    benzonitrile 182.25
    trioctyl phosphate 52.74
    1-bromopropane 279.68
    gamma-valerolactone 591.52
    n-decanol 107.99
    triethyl phosphate 63.47
    4-methyl-2-pentanol 206.04
    propionitrile 400.13
    vinylene carbonate 246.57
    1,1,2-trichlorotrifluoroethane 341.76
    DMS 103.7
    cumene 30.78
    2-octanol 125.72
    2-hexanone 286.68
    octyl acetate 94.48
    limonene 82.35
    1,2-dimethoxyethane 519.16
    ethyl orthosilicate 71.79
    tributyl phosphate 68.87
    diacetone alcohol 245.06
    N,N-dimethylaniline 66.96
    acrylonitrile 371.98
    aniline 221.46
    1,3-propanediol 639.29
    bromobenzene 108.13
    dibromomethane 369.19
    1,1,2,2-tetrachloroethane 362.06
    2-methyl-cyclohexyl acetate 114.33
    tetrabutyl urea 81.56
    diisobutyl methanol 123.0
    2-phenylethanol 177.89
    styrene 50.86
    dioctyl adipate 88.84
    dimethyl sulfate 91.4
    ethyl butyrate 259.93
    methyl lactate 141.85
    butyl lactate 145.64
    diethyl carbonate 109.11
    propanediol butyl ether 272.88
    triethyl orthoformate 145.04
    p-tert-butyltoluene 43.76
    methyl 4-tert-butylbenzoate 96.23
    morpholine 930.58
    tert-butylamine 374.47
    n-dodecanol 81.75
    dimethoxymethane 388.62
    ethylene carbonate 230.84
    cyrene 121.22
    2-ethoxyethyl acetate 239.15
    2-ethylhexyl acetate 202.9
    1,2,4-trichlorobenzene 113.15
    4-methylpyridine 318.75
    dibutyl ether 229.54
    2,6-dimethyl-4-heptanol 123.0
    DEF 381.33
    dimethyl isosorbide 248.24
    tetrachloroethylene 295.16
    eugenol 114.11
    triacetin 151.46
    span 80 197.58
    1,4-butanediol 226.75
    1,1-dichloroethane 361.72
    2-methyl-1-pentanol 311.47
    methyl formate 251.63
    2-methyl-1-butanol 464.69
    n-decane 26.78
    butyronitrile 525.32
    3,7-dimethyl-1-octanol 157.01
    1-chlorooctane 82.84
    1-chlorotetradecane 28.73
    n-nonane 27.04
    undecane 18.92
    tert-butylcyclohexane 23.99
    cyclooctane 22.72
    cyclopentanol 429.39
    tetrahydropyran 763.73
    tert-amyl methyl ether 211.99
    2,5,8-trioxanonane 333.05
    1-hexene 219.72
    2-isopropoxyethanol 311.38
    2,2,2-trifluoroethanol 212.3
    methyl butyrate 255.79

    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