(1,2-Dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate

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  • Identifiers

    CAS number
    94346-09-5

    Molecular formula
    C12H20O2

    SMILES
    CC1C(CCC1(C)OC(=O)C)C(=C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 76.19%
    Herbal 60.44%
    Fruity 54.39%
    Sweet 51.57%
    Citrus 47.53%
    Spicy 46.02%
    Fresh 42.81%
    Floral 42.59%
    Pine 39.89%
    Camphoreous 37.86%

     

    Flavor
    Woody 72.35%
    Sweet 67.95%
    Floral 49.42%
    Herbal 45.26%
    Tropical 43.11%
    Citrus 41.55%
    Lavender 41.53%
    Bergamot 36.79%
    Mint 34.56%
    Camphor 34.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.85 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 92.8 ˚C est.

  • Synonyms

    • 94346-09-5
    • DTXSID80869233
    • NKWCOKZUKIEZAR-UHFFFAOYSA-N
    • AKOS006272534
    • NS00003755

  • Applications

    (1,2-Dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate (CAS 94346-09-5) is primarily used as an odorant ingredient in fragrance, cosmetics, and personal care formulations, delivering a distinctive aroma in perfumes, shampoos, shower gels, and skin-care products. It is also commonly employed as an additive in household and cleaning products to impart scent. In fragrance applications, it can function as a fixative to help extend fragrance longevity. Additionally, the compound can serve as an organic synthesis intermediate for fragrance-related compounds or as a scent additive in polymers, plastics, coatings, and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3967.9
    methanol 5116.4
    isopropanol 3534.58
    water 29.11
    ethyl acetate 2445.51
    n-propanol 3606.89
    acetone 3714.94
    n-butanol 3123.95
    acetonitrile 2713.54
    DMF 5448.53
    toluene 2091.23
    isobutanol 3040.23
    1,4-dioxane 4992.3
    methyl acetate 2735.03
    THF 6876.85
    2-butanone 3451.93
    n-pentanol 1943.26
    sec-butanol 3202.63
    n-hexane 447.47
    ethylene glycol 948.17
    NMP 3483.16
    cyclohexane 508.37
    DMSO 3139.96
    n-butyl acetate 1220.08
    n-octanol 687.15
    chloroform 7303.24
    n-propyl acetate 1113.26
    acetic acid 2582.39
    dichloromethane 4942.8
    cyclohexanone 3691.41
    propylene glycol 1433.67
    isopropyl acetate 1883.03
    DMAc 4254.76
    2-ethoxyethanol 2421.6
    isopentanol 3045.38
    n-heptane 96.86
    ethyl formate 1593.02
    1,2-dichloroethane 3626.03
    n-hexanol 1908.16
    2-methoxyethanol 4425.03
    isobutyl acetate 829.01
    tetrachloromethane 1429.24
    n-pentyl acetate 895.77
    transcutol 4037.79
    n-heptanol 692.94
    ethylbenzene 985.4
    MIBK 1640.77
    2-propoxyethanol 2819.68
    tert-butanol 3816.99
    MTBE 4385.59
    2-butoxyethanol 1264.46
    propionic acid 2147.44
    o-xylene 1032.87
    formic acid 1467.35
    diethyl ether 3389.77
    m-xylene 1312.97
    p-xylene 1184.34
    chlorobenzene 2219.02
    dimethyl carbonate 1039.62
    n-octane 42.45
    formamide 1828.05
    cyclopentanone 3802.62
    2-pentanone 2582.29
    anisole 1873.07
    cyclopentyl methyl ether 3250.74
    gamma-butyrolactone 3594.52
    1-methoxy-2-propanol 3331.03
    pyridine 3733.35
    3-pentanone 2027.79
    furfural 2985.0
    n-dodecane 31.0
    diethylene glycol 1929.54
    diisopropyl ether 955.19
    tert-amyl alcohol 3521.96
    acetylacetone 2259.89
    n-hexadecane 36.77
    acetophenone 1271.15
    methyl propionate 2085.75
    isopentyl acetate 1336.04
    trichloroethylene 5613.56
    n-nonanol 564.22
    cyclohexanol 2698.43
    benzyl alcohol 1417.2
    2-ethylhexanol 805.48
    isooctanol 546.73
    dipropyl ether 710.17
    1,2-dichlorobenzene 1616.45
    ethyl lactate 552.94
    propylene carbonate 1815.94
    n-methylformamide 3107.49
    2-pentanol 2123.99
    n-pentane 398.49
    1-propoxy-2-propanol 1425.89
    1-methoxy-2-propyl acetate 1430.75
    2-(2-methoxypropoxy) propanol 923.6
    mesitylene 719.84
    ε-caprolactone 3006.44
    p-cymene 311.5
    epichlorohydrin 5130.21
    1,1,1-trichloroethane 3819.83
    2-aminoethanol 1944.96
    morpholine-4-carbaldehyde 3764.15
    sulfolane 3461.86
    2,2,4-trimethylpentane 223.57
    2-methyltetrahydrofuran 5468.9
    n-hexyl acetate 1444.63
    isooctane 169.93
    2-(2-butoxyethoxy)ethanol 1363.23
    sec-butyl acetate 988.0
    tert-butyl acetate 1941.46
    decalin 263.05
    glycerin 1616.39
    diglyme 2469.84
    acrylic acid 1609.96
    isopropyl myristate 356.58
    n-butyric acid 2606.03
    acetyl acetate 1360.99
    di(2-ethylhexyl) phthalate 367.34
    ethyl propionate 1090.05
    nitromethane 3725.42
    1,2-diethoxyethane 1256.42
    benzonitrile 1619.79
    trioctyl phosphate 263.4
    1-bromopropane 2731.13
    gamma-valerolactone 4625.76
    n-decanol 357.09
    triethyl phosphate 339.03
    4-methyl-2-pentanol 1251.72
    propionitrile 2417.81
    vinylene carbonate 1552.15
    1,1,2-trichlorotrifluoroethane 3003.5
    DMS 1117.26
    cumene 590.7
    2-octanol 519.1
    2-hexanone 1436.62
    octyl acetate 502.28
    limonene 496.43
    1,2-dimethoxyethane 3608.51
    ethyl orthosilicate 357.6
    tributyl phosphate 370.54
    diacetone alcohol 1934.61
    N,N-dimethylaniline 1089.61
    acrylonitrile 2516.86
    aniline 2307.39
    1,3-propanediol 2568.64
    bromobenzene 2193.2
    dibromomethane 3564.68
    1,1,2,2-tetrachloroethane 5029.21
    2-methyl-cyclohexyl acetate 659.2
    tetrabutyl urea 418.32
    diisobutyl methanol 382.56
    2-phenylethanol 1271.94
    styrene 1219.72
    dioctyl adipate 440.25
    dimethyl sulfate 1497.63
    ethyl butyrate 652.13
    methyl lactate 1007.76
    butyl lactate 692.27
    diethyl carbonate 455.4
    propanediol butyl ether 1218.73
    triethyl orthoformate 519.69
    p-tert-butyltoluene 342.01
    methyl 4-tert-butylbenzoate 841.9
    morpholine 6437.68
    tert-butylamine 2571.31
    n-dodecanol 234.95
    dimethoxymethane 3105.89
    ethylene carbonate 1477.93
    cyrene 877.83
    2-ethoxyethyl acetate 1198.6
    2-ethylhexyl acetate 979.44
    1,2,4-trichlorobenzene 1937.63
    4-methylpyridine 4301.7
    dibutyl ether 653.12
    2,6-dimethyl-4-heptanol 382.56
    DEF 2762.07
    dimethyl isosorbide 1343.52
    tetrachloroethylene 3220.47
    eugenol 791.05
    triacetin 865.23
    span 80 734.52
    1,4-butanediol 984.37
    1,1-dichloroethane 4299.43
    2-methyl-1-pentanol 1886.64
    methyl formate 2036.47
    2-methyl-1-butanol 2944.45
    n-decane 62.15
    butyronitrile 2431.42
    3,7-dimethyl-1-octanol 698.62
    1-chlorooctane 400.46
    1-chlorotetradecane 117.77
    n-nonane 62.66
    undecane 42.09
    tert-butylcyclohexane 257.87
    cyclooctane 158.06
    cyclopentanol 2780.18
    tetrahydropyran 5504.82
    tert-amyl methyl ether 2724.27
    2,5,8-trioxanonane 1272.68
    1-hexene 1349.2
    2-isopropoxyethanol 1556.99
    2,2,2-trifluoroethanol 1212.92
    methyl butyrate 1400.47

    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