1-(3-Methylbicyclo[2.2.1]hept-2-YL)propyl acetate

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  • Identifiers

    CAS number
    94201-28-2

    Molecular formula
    C13H22O2

    SMILES
    CCC(C1C(C2CCC1C2)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.71%
    Floral 66.36%
    Herbal 53.75%
    Fruity 53.26%
    Sweet 44.97%
    Balsamic 42.11%
    Fresh 40.14%
    Mint 34.77%
    Green 32.8%
    Pine 30.55%

     

    Flavor
    Fruity 68.15%
    Herbal 45.52%
    Sweet 41.9%
    Fruit 40.14%
    Tropical 39.96%
    Minty 32.08%
    Herb 30.83%
    Woody 27.66%
    Mint 26.54%
    Green 25.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.38 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    251°C

    Flash point

    • 104.53 ˚C est.

  • Synonyms

    • 94201-28-2
    • 1-(3-METHYLBICYCLO[2.2.1]HEPT-2-YL)PROPYL ACETATE
    • EINECS 303-612-9
    • 1-(3-Methylbicyclo(2.2.1)hept-2-yl)propyl acetate
    • 1-(3-methyl-2-bicyclo[2.2.1]heptanyl)propyl acetate
    • DTXSID00916137
    • WKQOGCONCLCIOZ-UHFFFAOYSA-N
    • NS00066213
    • 1-(3-Methylbicyclo[2.2.1]heptan-2-yl)propyl acetate
    • 94201-28-2

  • Applications

    1-(3-Methylbicyclo[2.2.1]hept-2-YL)propyl acetate (CAS number: 94201-28-2) is an ester commonly used in fragrance chemistry and may serve as a fragrance ingredient and fixative in perfumery; it is also used in cosmetics and personal care formulations as a scent component; in household products such as cleaners and detergents it contributes aroma; in industrial manufacturing it is used as an intermediate for the synthesis of related aroma compounds; and in coatings and inks it can function as a fragrance additive or scent-release component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2750.71
    methanol 3474.4
    isopropanol 3946.61
    water 9.63
    ethyl acetate 1878.91
    n-propanol 2681.4
    acetone 2949.62
    n-butanol 2371.28
    acetonitrile 2718.06
    DMF 2289.06
    toluene 1349.09
    isobutanol 2374.11
    1,4-dioxane 3531.32
    methyl acetate 1821.64
    THF 4568.92
    2-butanone 2173.87
    n-pentanol 1190.55
    sec-butanol 2316.63
    n-hexane 124.16
    ethylene glycol 489.02
    NMP 1327.09
    cyclohexane 387.15
    DMSO 1456.42
    n-butyl acetate 1298.74
    n-octanol 530.39
    chloroform 7897.95
    n-propyl acetate 965.15
    acetic acid 1620.51
    dichloromethane 5660.09
    cyclohexanone 2806.8
    propylene glycol 872.03
    isopropyl acetate 1351.37
    DMAc 1208.82
    2-ethoxyethanol 1143.31
    isopentanol 2000.51
    n-heptane 71.49
    ethyl formate 1544.41
    1,2-dichloroethane 2489.75
    n-hexanol 1330.84
    2-methoxyethanol 2359.63
    isobutyl acetate 733.46
    tetrachloromethane 993.5
    n-pentyl acetate 742.81
    transcutol 2217.64
    n-heptanol 535.28
    ethylbenzene 528.88
    MIBK 1052.18
    2-propoxyethanol 1635.16
    tert-butanol 2880.7
    MTBE 2211.66
    2-butoxyethanol 869.78
    propionic acid 1472.09
    o-xylene 674.89
    formic acid 544.98
    diethyl ether 1775.98
    m-xylene 830.74
    p-xylene 787.74
    chlorobenzene 1785.36
    dimethyl carbonate 498.03
    n-octane 41.91
    formamide 747.15
    cyclopentanone 3035.65
    2-pentanone 1726.28
    anisole 923.39
    cyclopentyl methyl ether 1572.77
    gamma-butyrolactone 3005.2
    1-methoxy-2-propanol 1913.81
    pyridine 2779.85
    3-pentanone 998.67
    furfural 2186.86
    n-dodecane 42.49
    diethylene glycol 1118.69
    diisopropyl ether 522.17
    tert-amyl alcohol 1678.81
    acetylacetone 1566.9
    n-hexadecane 49.52
    acetophenone 797.85
    methyl propionate 1101.92
    isopentyl acetate 1213.11
    trichloroethylene 4594.26
    n-nonanol 421.43
    cyclohexanol 1953.42
    benzyl alcohol 916.1
    2-ethylhexanol 552.53
    isooctanol 437.96
    dipropyl ether 505.15
    1,2-dichlorobenzene 1281.22
    ethyl lactate 408.46
    propylene carbonate 1847.05
    n-methylformamide 1548.42
    2-pentanol 1615.5
    n-pentane 172.71
    1-propoxy-2-propanol 1008.24
    1-methoxy-2-propyl acetate 991.91
    2-(2-methoxypropoxy) propanol 585.76
    mesitylene 464.55
    ε-caprolactone 2199.09
    p-cymene 298.64
    epichlorohydrin 3209.28
    1,1,1-trichloroethane 2765.94
    2-aminoethanol 1058.51
    morpholine-4-carbaldehyde 1682.16
    sulfolane 1945.19
    2,2,4-trimethylpentane 102.2
    2-methyltetrahydrofuran 2935.24
    n-hexyl acetate 1002.36
    isooctane 92.36
    2-(2-butoxyethoxy)ethanol 834.75
    sec-butyl acetate 705.44
    tert-butyl acetate 1006.92
    decalin 130.74
    glycerin 821.58
    diglyme 1518.92
    acrylic acid 1126.83
    isopropyl myristate 327.07
    n-butyric acid 2313.82
    acetyl acetate 1149.45
    di(2-ethylhexyl) phthalate 335.66
    ethyl propionate 721.55
    nitromethane 2321.39
    1,2-diethoxyethane 965.4
    benzonitrile 1558.62
    trioctyl phosphate 244.93
    1-bromopropane 1867.58
    gamma-valerolactone 3111.07
    n-decanol 285.31
    triethyl phosphate 253.39
    4-methyl-2-pentanol 780.77
    propionitrile 2326.61
    vinylene carbonate 1695.01
    1,1,2-trichlorotrifluoroethane 1593.05
    DMS 697.07
    cumene 347.71
    2-octanol 408.8
    2-hexanone 991.74
    octyl acetate 417.38
    limonene 394.94
    1,2-dimethoxyethane 1911.69
    ethyl orthosilicate 252.88
    tributyl phosphate 298.34
    diacetone alcohol 945.52
    N,N-dimethylaniline 500.35
    acrylonitrile 2243.86
    aniline 1478.72
    1,3-propanediol 1625.09
    bromobenzene 1948.79
    dibromomethane 3803.73
    1,1,2,2-tetrachloroethane 3558.45
    2-methyl-cyclohexyl acetate 498.99
    tetrabutyl urea 329.46
    diisobutyl methanol 320.93
    2-phenylethanol 868.29
    styrene 659.59
    dioctyl adipate 419.28
    dimethyl sulfate 580.87
    ethyl butyrate 675.25
    methyl lactate 597.39
    butyl lactate 538.6
    diethyl carbonate 445.17
    propanediol butyl ether 781.51
    triethyl orthoformate 428.62
    p-tert-butyltoluene 284.37
    methyl 4-tert-butylbenzoate 605.44
    morpholine 3587.71
    tert-butylamine 1701.79
    n-dodecanol 211.41
    dimethoxymethane 1526.82
    ethylene carbonate 1621.99
    cyrene 548.37
    2-ethoxyethyl acetate 895.3
    2-ethylhexyl acetate 798.15
    1,2,4-trichlorobenzene 1392.39
    4-methylpyridine 2674.63
    dibutyl ether 504.78
    2,6-dimethyl-4-heptanol 320.93
    DEF 1157.87
    dimethyl isosorbide 958.55
    tetrachloroethylene 2299.6
    eugenol 579.95
    triacetin 689.21
    span 80 559.1
    1,4-butanediol 630.49
    1,1-dichloroethane 3976.51
    2-methyl-1-pentanol 996.53
    methyl formate 1224.29
    2-methyl-1-butanol 1680.09
    n-decane 72.47
    butyronitrile 2358.53
    3,7-dimethyl-1-octanol 480.89
    1-chlorooctane 334.95
    1-chlorotetradecane 125.26
    n-nonane 70.49
    undecane 52.89
    tert-butylcyclohexane 118.03
    cyclooctane 102.92
    cyclopentanol 2113.08
    tetrahydropyran 3759.58
    tert-amyl methyl ether 924.63
    2,5,8-trioxanonane 878.76
    1-hexene 546.03
    2-isopropoxyethanol 847.95
    2,2,2-trifluoroethanol 659.09
    methyl butyrate 1066.43

    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