3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate

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  • Identifiers

    CAS number
    52210-18-1

    Molecular formula
    C15H24O2

    SMILES
    CC1=CCCC(C1C=CC(C)OC(=O)C)(C)C

  • Odor profile

    Fragrance
    Woody 81.72%
    Floral 74.43%
    Sweet 65.35%
    Fruity 64.18%
    Berry 59.57%
    Violet 58.16%
    Powdery 50.62%
    Orris 40.1%
    Tropical 39.21%
    Raspberry 38.68%

     

    Flavor
    Woody 72.83%
    Sweet 70.34%
    Floral 66.65%
    Tropical 51.84%
    Violet 43.07%
    Fruity 42.5%
    Herbal 40.98%
    Citrus 38.77%
    Lavender 36.84%
    Raspberry 35.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.13 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 130.81 ˚C est.

  • Synonyms

    • alpha-Ionyl acetate
    • 52210-18-1
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate
    • EINECS 257-738-3
    • BRN 3134520
    • AI3-36072
    • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl acetate
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol acetate
    • DTXSID60885991
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate
    • 3-06-00-00402 (Beilstein Handbook Reference)
    • 3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate
    • WHHAWKIPTSGTNC-UHFFFAOYSA-N
    • DTXCID001025342

  • Applications

    3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate (CAS 52210-18-1) is used primarily as a fragrance ingredient and odorant with potential fixative properties in perfumery and cosmetics. It may serve as an intermediate in the synthesis of other fragrance compounds within industrial chemical manufacturing. Its aromatic character makes it suitable for inclusion in household products such as air fresheners and detergents as a scent component. In coatings and inks, it can function as a fragrance additive, and it may also act as a processing aid or solvent in formulation workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 594.4
    methanol 652.78
    isopropanol 447.88
    water 0.42
    ethyl acetate 589.62
    n-propanol 449.5
    acetone 535.27
    n-butanol 418.57
    acetonitrile 353.86
    DMF 768.9
    toluene 402.52
    isobutanol 326.53
    1,4-dioxane 1039.87
    methyl acetate 446.74
    THF 1467.16
    2-butanone 438.86
    n-pentanol 250.03
    sec-butanol 338.01
    n-hexane 58.0
    ethylene glycol 61.28
    NMP 696.64
    cyclohexane 103.51
    DMSO 386.13
    n-butyl acetate 434.51
    n-octanol 175.82
    chloroform 1169.42
    n-propyl acetate 253.07
    acetic acid 308.61
    dichloromethane 930.59
    cyclohexanone 664.79
    propylene glycol 154.17
    isopropyl acetate 408.05
    DMAc 654.55
    2-ethoxyethanol 299.45
    isopentanol 369.01
    n-heptane 33.34
    ethyl formate 244.84
    1,2-dichloroethane 519.67
    n-hexanol 473.19
    2-methoxyethanol 575.44
    isobutyl acetate 214.66
    tetrachloromethane 134.2
    n-pentyl acetate 242.58
    transcutol 1858.62
    n-heptanol 161.07
    ethylbenzene 162.46
    MIBK 314.99
    2-propoxyethanol 673.18
    tert-butanol 581.31
    MTBE 622.76
    2-butoxyethanol 289.1
    propionic acid 263.25
    o-xylene 204.67
    formic acid 104.31
    diethyl ether 616.96
    m-xylene 305.0
    p-xylene 188.26
    chlorobenzene 385.52
    dimethyl carbonate 196.8
    n-octane 14.33
    formamide 137.95
    cyclopentanone 728.5
    2-pentanone 428.56
    anisole 341.5
    cyclopentyl methyl ether 710.79
    gamma-butyrolactone 789.28
    1-methoxy-2-propanol 550.54
    pyridine 518.62
    3-pentanone 313.8
    furfural 540.54
    n-dodecane 13.15
    diethylene glycol 394.72
    diisopropyl ether 201.98
    tert-amyl alcohol 399.73
    acetylacetone 483.84
    n-hexadecane 15.54
    acetophenone 261.54
    methyl propionate 431.82
    isopentyl acetate 404.03
    trichloroethylene 953.89
    n-nonanol 156.46
    cyclohexanol 419.13
    benzyl alcohol 237.26
    2-ethylhexanol 231.19
    isooctanol 131.7
    dipropyl ether 260.56
    1,2-dichlorobenzene 322.24
    ethyl lactate 140.51
    propylene carbonate 436.86
    n-methylformamide 276.87
    2-pentanol 288.82
    n-pentane 54.74
    1-propoxy-2-propanol 456.09
    1-methoxy-2-propyl acetate 533.83
    2-(2-methoxypropoxy) propanol 350.04
    mesitylene 171.11
    ε-caprolactone 593.62
    p-cymene 109.38
    epichlorohydrin 922.7
    1,1,1-trichloroethane 574.59
    2-aminoethanol 184.22
    morpholine-4-carbaldehyde 777.02
    sulfolane 685.11
    2,2,4-trimethylpentane 35.44
    2-methyltetrahydrofuran 1040.96
    n-hexyl acetate 385.24
    isooctane 30.11
    2-(2-butoxyethoxy)ethanol 478.08
    sec-butyl acetate 224.0
    tert-butyl acetate 462.16
    decalin 48.86
    glycerin 172.0
    diglyme 731.46
    acrylic acid 184.6
    isopropyl myristate 143.03
    n-butyric acid 414.17
    acetyl acetate 354.97
    di(2-ethylhexyl) phthalate 148.35
    ethyl propionate 248.76
    nitromethane 444.93
    1,2-diethoxyethane 516.75
    benzonitrile 313.26
    trioctyl phosphate 104.81
    1-bromopropane 396.95
    gamma-valerolactone 889.76
    n-decanol 113.26
    triethyl phosphate 127.79
    4-methyl-2-pentanol 191.29
    propionitrile 325.25
    vinylene carbonate 381.46
    1,1,2-trichlorotrifluoroethane 485.82
    DMS 322.55
    cumene 115.75
    2-octanol 111.74
    2-hexanone 253.09
    octyl acetate 186.88
    limonene 167.24
    1,2-dimethoxyethane 513.19
    ethyl orthosilicate 133.46
    tributyl phosphate 136.4
    diacetone alcohol 433.09
    N,N-dimethylaniline 220.36
    acrylonitrile 304.8
    aniline 389.34
    1,3-propanediol 270.22
    bromobenzene 427.35
    dibromomethane 598.88
    1,1,2,2-tetrachloroethane 810.23
    2-methyl-cyclohexyl acetate 246.49
    tetrabutyl urea 161.25
    diisobutyl methanol 112.63
    2-phenylethanol 329.47
    styrene 193.52
    dioctyl adipate 199.82
    dimethyl sulfate 252.64
    ethyl butyrate 261.85
    methyl lactate 201.82
    butyl lactate 196.8
    diethyl carbonate 175.0
    propanediol butyl ether 308.99
    triethyl orthoformate 195.31
    p-tert-butyltoluene 112.68
    methyl 4-tert-butylbenzoate 265.86
    morpholine 1207.29
    tert-butylamine 374.26
    n-dodecanol 83.17
    dimethoxymethane 668.42
    ethylene carbonate 337.58
    cyrene 262.01
    2-ethoxyethyl acetate 378.12
    2-ethylhexyl acetate 326.25
    1,2,4-trichlorobenzene 387.18
    4-methylpyridine 652.77
    dibutyl ether 225.24
    2,6-dimethyl-4-heptanol 112.63
    DEF 441.26
    dimethyl isosorbide 563.66
    tetrachloroethylene 440.77
    eugenol 235.81
    triacetin 350.29
    span 80 308.04
    1,4-butanediol 94.07
    1,1-dichloroethane 609.06
    2-methyl-1-pentanol 243.47
    methyl formate 209.05
    2-methyl-1-butanol 335.01
    n-decane 23.48
    butyronitrile 377.05
    3,7-dimethyl-1-octanol 192.4
    1-chlorooctane 120.04
    1-chlorotetradecane 47.01
    n-nonane 22.49
    undecane 17.14
    tert-butylcyclohexane 49.46
    cyclooctane 33.64
    cyclopentanol 368.83
    tetrahydropyran 1026.27
    tert-amyl methyl ether 377.95
    2,5,8-trioxanonane 505.2
    1-hexene 188.08
    2-isopropoxyethanol 246.79
    2,2,2-trifluoroethanol 102.18
    methyl butyrate 290.31

    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