2-Propenoic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester

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  • Identifiers

    CAS number
    820975-49-3

    Molecular formula
    C17H30O3

    SMILES
    CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C=C

  • Odor profile

    Fragrance
    Woody 50.42%
    Floral 48.95%
    Fruity 42.86%
    Musk 35.7%
    Dry 34.05%
    Herbal 33.9%
    Mint 33.82%
    Amber 28.73%
    Sweet 27.43%
    Natural 26.78%

     

    Flavor
    Fruity 56.56%
    Woody 47.8%
    Herbal 45.87%
    Sweet 44.34%
    Tropical 40.54%
    Floral 38.87%
    Green 32.93%
    Bergamot 32.14%
    Berry 31.8%
    Citrus 30.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.08 (weak base)

    Molecular weight
    282.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 141.16 ˚C est.

  • Synonyms

    • 820975-49-3
    • DTXSID40889210
    • 2-Propenoic acid, 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methylpropyl ester
    • 2-Propenoic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester
    • SCHEMBL5408250
    • JUZQJFIOMJOYDG-UHFFFAOYSA-N
    • DTXCID001028477

  • Applications

    Primarily used as a reactive monomer for acrylic polymer systems, this ester is commonly evaluated for incorporation into UV-curable coatings and inks, as well as adhesive and sealant formulations. In addition, it serves as a building block for specialty polymers and copolymers used in high-performance coatings, optically clear resins, UV-curable 3D printing formulations, and electronics-related photoresist formulations. Chemical name: 2-Propenoic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester; CAS number: 820975-49-3.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 690.59
    methanol 567.89
    isopropanol 585.56
    water 0.38
    ethyl acetate 1114.61
    n-propanol 640.24
    acetone 759.4
    n-butanol 677.71
    acetonitrile 421.92
    DMF 913.25
    toluene 635.24
    isobutanol 581.25
    1,4-dioxane 1010.84
    methyl acetate 793.46
    THF 1630.1
    2-butanone 859.58
    n-pentanol 517.8
    sec-butanol 668.28
    n-hexane 164.16
    ethylene glycol 61.9
    NMP 760.41
    cyclohexane 229.87
    DMSO 520.7
    n-butyl acetate 994.95
    n-octanol 354.31
    chloroform 1886.06
    n-propyl acetate 712.92
    acetic acid 609.87
    dichloromethane 1323.69
    cyclohexanone 1176.56
    propylene glycol 142.82
    isopropyl acetate 1029.73
    DMAc 1141.32
    2-ethoxyethanol 640.0
    isopentanol 720.21
    n-heptane 70.52
    ethyl formate 479.77
    1,2-dichloroethane 986.79
    n-hexanol 765.37
    2-methoxyethanol 739.19
    isobutyl acetate 659.52
    tetrachloromethane 313.39
    n-pentyl acetate 603.62
    transcutol 2030.74
    n-heptanol 337.22
    ethylbenzene 416.2
    MIBK 734.58
    2-propoxyethanol 969.21
    tert-butanol 766.74
    MTBE 1376.08
    2-butoxyethanol 620.85
    propionic acid 423.45
    o-xylene 469.74
    formic acid 158.54
    diethyl ether 1051.05
    m-xylene 510.74
    p-xylene 554.37
    chlorobenzene 621.01
    dimethyl carbonate 293.72
    n-octane 38.86
    formamide 169.6
    cyclopentanone 952.25
    2-pentanone 878.11
    anisole 608.33
    cyclopentyl methyl ether 983.93
    gamma-butyrolactone 924.23
    1-methoxy-2-propanol 723.44
    pyridine 733.2
    3-pentanone 688.12
    furfural 772.52
    n-dodecane 28.78
    diethylene glycol 441.56
    diisopropyl ether 476.56
    tert-amyl alcohol 825.88
    acetylacetone 864.37
    n-hexadecane 33.86
    acetophenone 558.0
    methyl propionate 731.42
    isopentyl acetate 1106.2
    trichloroethylene 1737.87
    n-nonanol 325.68
    cyclohexanol 692.03
    benzyl alcohol 424.39
    2-ethylhexanol 466.67
    isooctanol 304.92
    dipropyl ether 481.53
    1,2-dichlorobenzene 597.2
    ethyl lactate 297.25
    propylene carbonate 706.3
    n-methylformamide 376.41
    2-pentanol 614.09
    n-pentane 126.73
    1-propoxy-2-propanol 751.03
    1-methoxy-2-propyl acetate 969.73
    2-(2-methoxypropoxy) propanol 556.16
    mesitylene 334.93
    ε-caprolactone 1138.27
    p-cymene 251.98
    epichlorohydrin 1315.91
    1,1,1-trichloroethane 1223.59
    2-aminoethanol 200.25
    morpholine-4-carbaldehyde 993.22
    sulfolane 805.74
    2,2,4-trimethylpentane 104.94
    2-methyltetrahydrofuran 1341.36
    n-hexyl acetate 886.42
    isooctane 80.03
    2-(2-butoxyethoxy)ethanol 757.62
    sec-butyl acetate 741.03
    tert-butyl acetate 1040.81
    decalin 141.56
    glycerin 175.82
    diglyme 1273.48
    acrylic acid 286.72
    isopropyl myristate 300.97
    n-butyric acid 862.01
    acetyl acetate 698.45
    di(2-ethylhexyl) phthalate 254.52
    ethyl propionate 648.87
    nitromethane 734.28
    1,2-diethoxyethane 874.8
    benzonitrile 502.17
    trioctyl phosphate 196.22
    1-bromopropane 777.96
    gamma-valerolactone 1307.16
    n-decanol 224.86
    triethyl phosphate 286.24
    4-methyl-2-pentanol 452.36
    propionitrile 464.86
    vinylene carbonate 584.74
    1,1,2-trichlorotrifluoroethane 801.54
    DMS 584.83
    cumene 308.73
    2-octanol 265.08
    2-hexanone 677.05
    octyl acetate 373.27
    limonene 367.83
    1,2-dimethoxyethane 1042.66
    ethyl orthosilicate 311.83
    tributyl phosphate 277.31
    diacetone alcohol 751.15
    N,N-dimethylaniline 450.47
    acrylonitrile 432.82
    aniline 480.45
    1,3-propanediol 367.89
    bromobenzene 693.5
    dibromomethane 997.61
    1,1,2,2-tetrachloroethane 1613.68
    2-methyl-cyclohexyl acetate 541.76
    tetrabutyl urea 296.85
    diisobutyl methanol 258.73
    2-phenylethanol 515.59
    styrene 448.55
    dioctyl adipate 387.89
    dimethyl sulfate 366.03
    ethyl butyrate 620.63
    methyl lactate 294.68
    butyl lactate 475.88
    diethyl carbonate 403.01
    propanediol butyl ether 511.42
    triethyl orthoformate 456.93
    p-tert-butyltoluene 244.53
    methyl 4-tert-butylbenzoate 495.0
    morpholine 1168.01
    tert-butylamine 531.44
    n-dodecanol 164.14
    dimethoxymethane 753.95
    ethylene carbonate 583.61
    cyrene 376.61
    2-ethoxyethyl acetate 736.44
    2-ethylhexyl acetate 853.83
    1,2,4-trichlorobenzene 666.55
    4-methylpyridine 1036.37
    dibutyl ether 483.05
    2,6-dimethyl-4-heptanol 258.73
    DEF 908.8
    dimethyl isosorbide 824.22
    tetrachloroethylene 951.41
    eugenol 410.62
    triacetin 638.57
    span 80 463.39
    1,4-butanediol 176.15
    1,1-dichloroethane 1164.56
    2-methyl-1-pentanol 593.86
    methyl formate 309.86
    2-methyl-1-butanol 679.66
    n-decane 56.62
    butyronitrile 611.73
    3,7-dimethyl-1-octanol 400.52
    1-chlorooctane 282.12
    1-chlorotetradecane 100.76
    n-nonane 53.25
    undecane 38.47
    tert-butylcyclohexane 136.81
    cyclooctane 90.35
    cyclopentanol 498.56
    tetrahydropyran 1267.34
    tert-amyl methyl ether 1054.84
    2,5,8-trioxanonane 745.22
    1-hexene 516.31
    2-isopropoxyethanol 576.76
    2,2,2-trifluoroethanol 197.14
    methyl butyrate 820.82

    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