1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethyl acetate

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  • Identifiers

    Molecular formula
    C12H20O2

    SMILES
    CC1=CCC(C1(C)C)C(C)OC(=O)C

  • Odor profile

    Woody 83.01%
    Floral 75.04%
    Fruity 74.95%
    Herbal 57.29%
    Sweet 56.17%
    Berry 50.5%
    Spicy 43.78%
    Balsamic 38.08%
    Fresh 36.65%
    Lavender 36.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point est.
    93.69 ˚C

  • Synonyms

    • SCHEMBL3507584
    • NS00121506

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 839.41
    methanol 1089.31
    isopropanol 868.17
    water 13.46
    ethyl acetate 817.22
    n-propanol 718.78
    acetone 879.87
    n-butanol 698.66
    acetonitrile 946.86
    DMF 1430.48
    toluene 855.03
    isobutanol 632.48
    1,4-dioxane 2182.71
    methyl acetate 786.01
    THF 2034.59
    2-butanone 740.62
    n-pentanol 418.36
    sec-butanol 758.5
    n-hexane 131.82
    ethylene glycol 203.97
    NMP 1172.0
    cyclohexane 306.82
    DMSO 683.69
    n-butyl acetate 440.32
    n-octanol 285.22
    chloroform 2887.39
    n-propyl acetate 360.58
    acetic acid 634.93
    dichloromethane 2031.77
    cyclohexanone 1088.5
    propylene glycol 345.26
    isopropyl acetate 547.34
    DMAc 1109.66
    2-ethoxyethanol 491.73
    isopentanol 641.58
    n-heptane 67.6
    ethyl formate 435.69
    1,2-dichloroethane 1037.4
    n-hexanol 604.44
    2-methoxyethanol 982.0
    isobutyl acetate 269.53
    tetrachloromethane 567.08
    n-pentyl acetate 309.07
    transcutol 1502.3
    n-heptanol 257.04
    ethylbenzene 417.16
    MIBK 415.01
    2-propoxyethanol 798.82
    tert-butanol 1129.49
    MTBE 963.25
    2-butoxyethanol 399.64
    propionic acid 553.18
    o-xylene 536.77
    formic acid 326.22
    diethyl ether 771.76
    m-xylene 602.45
    p-xylene 604.94
    chlorobenzene 922.74
    dimethyl carbonate 363.48
    n-octane 31.01
    formamide 540.04
    cyclopentanone 1117.51
    2-pentanone 597.86
    anisole 720.97
    cyclopentyl methyl ether 854.74
    gamma-butyrolactone 1286.65
    1-methoxy-2-propanol 823.07
    pyridine 1184.83
    3-pentanone 526.68
    furfural 1028.69
    n-dodecane 28.74
    diethylene glycol 560.12
    diisopropyl ether 307.48
    tert-amyl alcohol 875.45
    acetylacetone 734.67
    n-hexadecane 33.54
    acetophenone 555.59
    methyl propionate 632.39
    isopentyl acetate 431.75
    trichloroethylene 2003.89
    n-nonanol 259.57
    cyclohexanol 790.31
    benzyl alcohol 488.72
    2-ethylhexanol 322.16
    isooctanol 222.69
    dipropyl ether 296.77
    1,2-dichlorobenzene 772.22
    ethyl lactate 206.87
    propylene carbonate 714.36
    n-methylformamide 668.32
    2-pentanol 515.18
    n-pentane 132.11
    1-propoxy-2-propanol 520.19
    1-methoxy-2-propyl acetate 572.7
    2-(2-methoxypropoxy) propanol 425.55
    mesitylene 353.47
    ε-caprolactone 988.59
    p-cymene 197.95
    epichlorohydrin 1378.71
    1,1,1-trichloroethane 1455.31
    2-aminoethanol 459.61
    morpholine-4-carbaldehyde 1302.92
    sulfolane 1089.2
    2,2,4-trimethylpentane 86.44
    2-methyltetrahydrofuran 1468.77
    n-hexyl acetate 521.63
    isooctane 59.16
    2-(2-butoxyethoxy)ethanol 549.62
    sec-butyl acetate 330.78
    tert-butyl acetate 581.47
    decalin 137.97
    glycerin 385.99
    diglyme 964.76
    acrylic acid 481.37
    isopropyl myristate 203.58
    n-butyric acid 629.55
    acetyl acetate 605.97
    di(2-ethylhexyl) phthalate 198.28
    ethyl propionate 388.16
    nitromethane 1039.52
    1,2-diethoxyethane 517.15
    benzonitrile 664.22
    trioctyl phosphate 140.52
    1-bromopropane 737.14
    gamma-valerolactone 1395.2
    n-decanol 189.23
    triethyl phosphate 194.8
    4-methyl-2-pentanol 341.63
    propionitrile 724.03
    vinylene carbonate 708.79
    1,1,2-trichlorotrifluoroethane 865.18
    DMS 477.08
    cumene 282.63
    2-octanol 205.06
    2-hexanone 382.96
    octyl acetate 253.17
    limonene 275.91
    1,2-dimethoxyethane 935.41
    ethyl orthosilicate 194.79
    tributyl phosphate 171.39
    diacetone alcohol 566.55
    N,N-dimethylaniline 473.88
    acrylonitrile 781.33
    aniline 868.33
    1,3-propanediol 554.4
    bromobenzene 1026.26
    dibromomethane 1316.25
    1,1,2,2-tetrachloroethane 1702.31
    2-methyl-cyclohexyl acetate 347.55
    tetrabutyl urea 203.04
    diisobutyl methanol 174.08
    2-phenylethanol 550.24
    styrene 499.95
    dioctyl adipate 261.43
    dimethyl sulfate 539.61
    ethyl butyrate 340.52
    methyl lactate 333.52
    butyl lactate 244.31
    diethyl carbonate 265.0
    propanediol butyl ether 404.52
    triethyl orthoformate 250.19
    p-tert-butyltoluene 206.41
    methyl 4-tert-butylbenzoate 439.32
    morpholine 2061.28
    tert-butylamine 840.13
    n-dodecanol 140.25
    dimethoxymethane 863.92
    ethylene carbonate 620.6
    cyrene 413.58
    2-ethoxyethyl acetate 429.24
    2-ethylhexyl acetate 364.61
    1,2,4-trichlorobenzene 924.86
    4-methylpyridine 1330.82
    dibutyl ether 276.73
    2,6-dimethyl-4-heptanol 174.08
    DEF 655.21
    dimethyl isosorbide 736.02
    tetrachloroethylene 1080.42
    eugenol 389.02
    triacetin 442.34
    span 80 380.58
    1,4-butanediol 210.97
    1,1-dichloroethane 1398.71
    2-methyl-1-pentanol 427.87
    methyl formate 515.34
    2-methyl-1-butanol 611.21
    n-decane 48.17
    butyronitrile 697.22
    3,7-dimethyl-1-octanol 284.83
    1-chlorooctane 203.41
    1-chlorotetradecane 84.25
    n-nonane 45.02
    undecane 36.09
    tert-butylcyclohexane 118.4
    cyclooctane 93.62
    cyclopentanol 789.32
    tetrahydropyran 1626.57
    tert-amyl methyl ether 640.43
    2,5,8-trioxanonane 656.94
    1-hexene 340.55
    2-isopropoxyethanol 385.85
    2,2,2-trifluoroethanol 333.55
    methyl butyrate 433.1

    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