Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, 1-acetate

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  • Identifiers

    CAS number
    37172-05-7

    Molecular formula
    C14H22O2

    SMILES
    CCC(C)C1CCCCC1(C#C)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 82.62%
    Dry 50.38%
    Amber 50.03%
    Cedar 37.43%
    Herbal 35.47%
    Vetiver 34.85%
    Balsamic 34.77%
    Sandalwood 34.44%
    Spicy 33.54%
    Fresh 28.15%

     

    Flavor
    Woody 36.24%
    Herbal 33.05%
    Fruity 31.48%
    Bitter 29.45%
    Minty 29.32%
    Floral 26.5%
    Tropical 25.2%
    Mild 22.12%
    Cedarleaf 20.91%
    Heather 20.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.17 (neutral)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 113.23 ˚C est.

  • Synonyms

    • Ambrate
    • 37172-05-7
    • 1-Acetoxy-1-ethynyl-2-sec-butylcyclohexanol
    • EINECS 253-378-6
    • BRN 2212862
    • Acetoxy-2-sec-butyl-1-ethynylcyclohexane
    • 1-Ethynyl-2-(1-methylpropyl)cyclohexanol acetate
    • Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, acetate
    • Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, 1-acetate
    • DTXSID00865853
    • 1-Ethynyl-2-(1-methylpropyl)cyclohexyl acetate
    • amber cyclohexanol
    • 1-Acetoxy-2-sec-butyl-1-ethynylcyclohexane
    • SCHEMBL3504926
    • DTXCID50814215
    • PKVIIPGIGKYQFI-UHFFFAOYSA-N
    • NS00057322
    • (2-butan-2-yl-1-ethynyl-cyclohexyl) ethanoate
    • A825768
    • acetic acid (2-butan-2-yl-1-ethynylcyclohexyl) ester

  • Applications

    Used as an organic synthesis intermediate, it is commonly employed as a building block for fragrance ingredients in perfumery and as a component in cosmetic/personal care formulations; it may also serve as an intermediate in pharmaceutical development. The alkyne functionality enables functionalization via click chemistry, allowing incorporation into polymers and coatings for specialty applications. It can also be used as an intermediate in broader industrial manufacturing of specialty chemicals and formulation components. Chemical name: Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, 1-acetate; CAS 37172-05-7.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1114.77
    methanol 1742.05
    isopropanol 925.5
    water 1.19
    ethyl acetate 1047.27
    n-propanol 967.07
    acetone 1741.21
    n-butanol 869.2
    acetonitrile 1013.96
    DMF 2080.79
    toluene 761.41
    isobutanol 710.4
    1,4-dioxane 1605.99
    methyl acetate 980.81
    THF 2379.7
    2-butanone 1237.85
    n-pentanol 565.02
    sec-butanol 764.91
    n-hexane 99.02
    ethylene glycol 302.85
    NMP 1697.75
    cyclohexane 272.55
    DMSO 1804.14
    n-butyl acetate 767.78
    n-octanol 321.49
    chloroform 3664.64
    n-propyl acetate 600.06
    acetic acid 793.55
    dichloromethane 3382.67
    cyclohexanone 2300.7
    propylene glycol 342.14
    isopropyl acetate 635.67
    DMAc 1225.22
    2-ethoxyethanol 567.14
    isopentanol 622.6
    n-heptane 60.09
    ethyl formate 887.53
    1,2-dichloroethane 1973.02
    n-hexanol 657.27
    2-methoxyethanol 1042.59
    isobutyl acetate 412.66
    tetrachloromethane 545.97
    n-pentyl acetate 587.65
    transcutol 1144.28
    n-heptanol 299.98
    ethylbenzene 359.66
    MIBK 569.91
    2-propoxyethanol 781.67
    tert-butanol 728.95
    MTBE 633.16
    2-butoxyethanol 440.45
    propionic acid 822.73
    o-xylene 409.34
    formic acid 322.66
    diethyl ether 840.87
    m-xylene 470.23
    p-xylene 448.92
    chlorobenzene 1109.35
    dimethyl carbonate 418.66
    n-octane 33.58
    formamide 460.87
    cyclopentanone 2356.3
    2-pentanone 1038.93
    anisole 595.21
    cyclopentyl methyl ether 1010.26
    gamma-butyrolactone 2395.17
    1-methoxy-2-propanol 800.58
    pyridine 1554.5
    3-pentanone 772.86
    furfural 1631.24
    n-dodecane 31.25
    diethylene glycol 587.1
    diisopropyl ether 217.13
    tert-amyl alcohol 597.99
    acetylacetone 1104.65
    n-hexadecane 36.57
    acetophenone 577.94
    methyl propionate 809.44
    isopentyl acetate 624.4
    trichloroethylene 3228.82
    n-nonanol 245.78
    cyclohexanol 970.58
    benzyl alcohol 525.51
    2-ethylhexanol 309.08
    isooctanol 233.75
    dipropyl ether 314.92
    1,2-dichlorobenzene 888.56
    ethyl lactate 298.59
    propylene carbonate 1307.25
    n-methylformamide 1021.03
    2-pentanol 528.71
    n-pentane 111.68
    1-propoxy-2-propanol 506.64
    1-methoxy-2-propyl acetate 630.32
    2-(2-methoxypropoxy) propanol 347.46
    mesitylene 282.88
    ε-caprolactone 1577.89
    p-cymene 198.4
    epichlorohydrin 2050.93
    1,1,1-trichloroethane 1689.94
    2-aminoethanol 495.12
    morpholine-4-carbaldehyde 1340.04
    sulfolane 2286.95
    2,2,4-trimethylpentane 52.2
    2-methyltetrahydrofuran 1550.83
    n-hexyl acetate 770.71
    isooctane 42.04
    2-(2-butoxyethoxy)ethanol 506.06
    sec-butyl acetate 390.26
    tert-butyl acetate 596.08
    decalin 102.76
    glycerin 411.99
    diglyme 934.82
    acrylic acid 692.11
    isopropyl myristate 241.18
    n-butyric acid 1085.63
    acetyl acetate 696.74
    di(2-ethylhexyl) phthalate 248.92
    ethyl propionate 502.32
    nitromethane 1465.18
    1,2-diethoxyethane 498.78
    benzonitrile 869.65
    trioctyl phosphate 196.94
    1-bromopropane 1217.31
    gamma-valerolactone 2237.01
    n-decanol 170.91
    triethyl phosphate 217.92
    4-methyl-2-pentanol 275.13
    propionitrile 971.56
    vinylene carbonate 1200.84
    1,1,2-trichlorotrifluoroethane 1142.14
    DMS 551.67
    cumene 219.42
    2-octanol 251.12
    2-hexanone 612.81
    octyl acetate 324.14
    limonene 290.59
    1,2-dimethoxyethane 1015.5
    ethyl orthosilicate 199.84
    tributyl phosphate 220.36
    diacetone alcohol 594.52
    N,N-dimethylaniline 361.06
    acrylonitrile 1129.62
    aniline 699.73
    1,3-propanediol 662.59
    bromobenzene 1246.57
    dibromomethane 2323.81
    1,1,2,2-tetrachloroethane 2485.02
    2-methyl-cyclohexyl acetate 387.23
    tetrabutyl urea 290.27
    diisobutyl methanol 175.02
    2-phenylethanol 517.47
    styrene 458.66
    dioctyl adipate 332.54
    dimethyl sulfate 663.42
    ethyl butyrate 463.27
    methyl lactate 403.66
    butyl lactate 398.26
    diethyl carbonate 333.02
    propanediol butyl ether 485.2
    triethyl orthoformate 290.55
    p-tert-butyltoluene 189.51
    methyl 4-tert-butylbenzoate 470.57
    morpholine 1680.5
    tert-butylamine 446.83
    n-dodecanol 130.65
    dimethoxymethane 1044.34
    ethylene carbonate 1075.26
    cyrene 435.09
    2-ethoxyethyl acetate 634.49
    2-ethylhexyl acetate 490.97
    1,2,4-trichlorobenzene 960.93
    4-methylpyridine 1505.34
    dibutyl ether 309.11
    2,6-dimethyl-4-heptanol 175.02
    DEF 943.18
    dimethyl isosorbide 633.22
    tetrachloroethylene 1599.88
    eugenol 444.2
    triacetin 558.43
    span 80 371.34
    1,4-butanediol 320.41
    1,1-dichloroethane 1988.91
    2-methyl-1-pentanol 464.78
    methyl formate 884.56
    2-methyl-1-butanol 634.62
    n-decane 51.1
    butyronitrile 1016.23
    3,7-dimethyl-1-octanol 257.77
    1-chlorooctane 245.72
    1-chlorotetradecane 94.45
    n-nonane 52.58
    undecane 38.56
    tert-butylcyclohexane 79.02
    cyclooctane 70.82
    cyclopentanol 1047.6
    tetrahydropyran 1884.29
    tert-amyl methyl ether 437.79
    2,5,8-trioxanonane 587.9
    1-hexene 360.13
    2-isopropoxyethanol 405.42
    2,2,2-trifluoroethanol 308.87
    methyl butyrate 748.42

    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