2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

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  • Identifiers

    CAS number
    13720-37-1

    Molecular formula
    C13H24O

    SMILES
    CC1=CCCC(C1CCC(C)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.66%
    Floral 62.18%
    Sweet 58.76%
    Amber 49.33%
    Powdery 48.5%
    Violet 47.41%
    Sandalwood 44.1%
    Musk 43.18%
    Dry 41.15%
    Orris 39.0%

     

    Flavor
    Woody 72.19%
    Sweet 62.13%
    Floral 60.8%
    Herbal 36.55%
    Amber 33.83%
    Wood 33.14%
    Balsam 33.09%
    Tropical 32.3%
    Citrus 31.84%
    Green 30.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.09 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 114.1 ˚C est.

  • Synonyms

    • 13720-37-1
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanol
    • EINECS 237-285-8
    • AI3-32387
    • 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
    • 2-Cyclohexene-1-propanol, .alpha.,2,6,6-tetramethyl-
    • DTXSID70884632
    • RefChem:470898
    • DTXCID301024062
    • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
    • dihydro-I(2)-ionol
    • alpha,2,6,6-Tetramethylcyclohex-2-ene-1-propan-1-ol
    • SCHEMBL1825823
    • OTXZMHLBFXFVPP-UHFFFAOYSA-N
    • NS00051671
    • 13720-37-1

  • Applications

    2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl- (CAS 13720-37-1) may be used as a fragrance ingredient and odorant in perfumery and cosmetics, often serving as a scent component and sometimes as a fixative in consumer fragrance formulations. It is also regarded as a useful synthetic intermediate for polymers and specialty plastics in industrial manufacturing and materials development. In the household and cleaning product arena, the compound may be used as an additional fragrance ingredient or scent additive. Additionally, it may function as an intermediate in chemical synthesis or as a processing aid or solvent in coatings and inks, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2021.44
    methanol 1722.35
    isopropanol 1598.13
    water 0.91
    ethyl acetate 1235.26
    n-propanol 1586.59
    acetone 1394.36
    n-butanol 1558.66
    acetonitrile 1047.37
    DMF 985.72
    toluene 563.75
    isobutanol 996.57
    1,4-dioxane 2665.87
    methyl acetate 876.08
    THF 3961.35
    2-butanone 1109.39
    n-pentanol 606.6
    sec-butanol 928.76
    n-hexane 145.33
    ethylene glycol 117.59
    NMP 619.38
    cyclohexane 335.88
    DMSO 672.78
    n-butyl acetate 1186.17
    n-octanol 423.13
    chloroform 1522.68
    n-propyl acetate 547.8
    acetic acid 543.47
    dichloromethane 1331.15
    cyclohexanone 1223.98
    propylene glycol 269.1
    isopropyl acetate 755.44
    DMAc 533.51
    2-ethoxyethanol 611.16
    isopentanol 1050.54
    n-heptane 210.06
    ethyl formate 672.92
    1,2-dichloroethane 794.8
    n-hexanol 1389.14
    2-methoxyethanol 1472.03
    isobutyl acetate 376.42
    tetrachloromethane 290.32
    n-pentyl acetate 469.25
    transcutol 2590.92
    n-heptanol 476.0
    ethylbenzene 198.47
    MIBK 589.95
    2-propoxyethanol 1515.59
    tert-butanol 1473.22
    MTBE 1408.19
    2-butoxyethanol 672.22
    propionic acid 524.4
    o-xylene 252.52
    formic acid 146.03
    diethyl ether 1709.83
    m-xylene 369.15
    p-xylene 257.21
    chlorobenzene 511.42
    dimethyl carbonate 210.42
    n-octane 54.84
    formamide 243.61
    cyclopentanone 1407.29
    2-pentanone 1086.79
    anisole 406.12
    cyclopentyl methyl ether 1231.22
    gamma-butyrolactone 1287.08
    1-methoxy-2-propanol 1128.75
    pyridine 1023.38
    3-pentanone 625.09
    furfural 764.37
    n-dodecane 35.18
    diethylene glycol 609.17
    diisopropyl ether 468.41
    tert-amyl alcohol 806.92
    acetylacetone 770.54
    n-hexadecane 41.19
    acetophenone 287.55
    methyl propionate 709.05
    isopentyl acetate 919.69
    trichloroethylene 1169.77
    n-nonanol 343.66
    cyclohexanol 870.87
    benzyl alcohol 286.02
    2-ethylhexanol 653.35
    isooctanol 329.6
    dipropyl ether 1018.45
    1,2-dichlorobenzene 367.86
    ethyl lactate 172.95
    propylene carbonate 636.24
    n-methylformamide 575.23
    2-pentanol 778.28
    n-pentane 202.8
    1-propoxy-2-propanol 1142.43
    1-methoxy-2-propyl acetate 912.01
    2-(2-methoxypropoxy) propanol 480.88
    mesitylene 227.92
    ε-caprolactone 965.54
    p-cymene 206.41
    epichlorohydrin 1446.9
    1,1,1-trichloroethane 761.45
    2-aminoethanol 416.68
    morpholine-4-carbaldehyde 971.64
    sulfolane 765.9
    2,2,4-trimethylpentane 80.37
    2-methyltetrahydrofuran 2234.43
    n-hexyl acetate 667.5
    isooctane 83.23
    2-(2-butoxyethoxy)ethanol 788.04
    sec-butyl acetate 358.43
    tert-butyl acetate 751.8
    decalin 89.93
    glycerin 277.09
    diglyme 1242.99
    acrylic acid 284.48
    isopropyl myristate 242.72
    n-butyric acid 1090.76
    acetyl acetate 522.24
    di(2-ethylhexyl) phthalate 208.99
    ethyl propionate 424.38
    nitromethane 812.24
    1,2-diethoxyethane 1162.55
    benzonitrile 443.79
    trioctyl phosphate 177.01
    1-bromopropane 767.05
    gamma-valerolactone 1563.86
    n-decanol 236.29
    triethyl phosphate 188.67
    4-methyl-2-pentanol 419.08
    propionitrile 990.7
    vinylene carbonate 548.41
    1,1,2-trichlorotrifluoroethane 550.78
    DMS 334.62
    cumene 141.26
    2-octanol 278.62
    2-hexanone 537.17
    octyl acetate 303.94
    limonene 378.84
    1,2-dimethoxyethane 1168.17
    ethyl orthosilicate 210.36
    tributyl phosphate 205.46
    diacetone alcohol 637.87
    N,N-dimethylaniline 233.46
    acrylonitrile 717.68
    aniline 596.9
    1,3-propanediol 813.01
    bromobenzene 534.03
    dibromomethane 982.58
    1,1,2,2-tetrachloroethane 859.19
    2-methyl-cyclohexyl acetate 400.07
    tetrabutyl urea 233.73
    diisobutyl methanol 327.94
    2-phenylethanol 449.66
    styrene 235.09
    dioctyl adipate 289.26
    dimethyl sulfate 209.12
    ethyl butyrate 653.32
    methyl lactate 236.31
    butyl lactate 334.88
    diethyl carbonate 328.59
    propanediol butyl ether 524.6
    triethyl orthoformate 416.08
    p-tert-butyltoluene 228.23
    methyl 4-tert-butylbenzoate 338.04
    morpholine 2853.95
    tert-butylamine 1179.23
    n-dodecanol 173.62
    dimethoxymethane 1142.31
    ethylene carbonate 532.2
    cyrene 297.94
    2-ethoxyethyl acetate 589.13
    2-ethylhexyl acetate 698.7
    1,2,4-trichlorobenzene 414.25
    4-methylpyridine 992.9
    dibutyl ether 572.71
    2,6-dimethyl-4-heptanol 327.94
    DEF 770.29
    dimethyl isosorbide 756.86
    tetrachloroethylene 564.26
    eugenol 292.42
    triacetin 414.42
    span 80 473.86
    1,4-butanediol 169.03
    1,1-dichloroethane 915.12
    2-methyl-1-pentanol 449.24
    methyl formate 388.81
    2-methyl-1-butanol 835.02
    n-decane 74.21
    butyronitrile 1278.11
    3,7-dimethyl-1-octanol 380.42
    1-chlorooctane 248.83
    1-chlorotetradecane 90.73
    n-nonane 75.93
    undecane 48.63
    tert-butylcyclohexane 92.92
    cyclooctane 111.82
    cyclopentanol 811.73
    tetrahydropyran 2891.87
    tert-amyl methyl ether 694.02
    2,5,8-trioxanonane 746.9
    1-hexene 416.77
    2-isopropoxyethanol 432.47
    2,2,2-trifluoroethanol 127.85
    methyl butyrate 549.61

    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