2-(3,3-Dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl isobutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93919-94-9

    Molecular formula
    C15H24O2

    SMILES
    CC(C)C(=O)OC/C=C\1/C2CCC(C2)C1(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.58%
    Woody 77.01%
    Berry 42.21%
    Herbal 39.21%
    Balsamic 39.02%
    Sweet 37.55%
    Amber 37.11%
    Floral 35.76%
    Dry 35.07%
    Oily 32.37%

     

    Flavor
    Woody 40.07%
    Fruity 37.46%
    Sweet 31.24%
    Bitter 30.31%
    Herbal 28.19%
    Tropical 27.07%
    Fruit 24.8%
    Balsam 23.28%
    Sandalwood 22.22%
    Ionone 22.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.52 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    296°C

    Flash point

    • 124.43 ˚C est.

  • Synonyms

    • EINECS 300-079-4
    • 2-(3,3-Dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl isobutyrate
    • 93919-94-9
    • VSMIGSPOHYSZHX-QPEQYQDCSA-N
    • 93919-94-9

  • Applications

    2-(3,3-Dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl isobutyrate (CAS 93919-94-9) has practical applications primarily in fragrance and cosmetics, where it is viewed as a fragrance ingredient and fixative in perfumery and personal care products; it may also be used in household products such as cleaners and air fresheners as a scent component; in coatings and inks it can function as an odorant additive or fragrance modifier; in industrial manufacturing it may be evaluated as a specialty intermediate or additive for polymer or plastic formulations; and as a potential chemical intermediate in organic synthesis, with usage limited by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1420.79
    methanol 1131.52
    isopropanol 1299.65
    water 3.26
    ethyl acetate 3050.18
    n-propanol 1222.63
    acetone 2284.82
    n-butanol 1252.79
    acetonitrile 1515.59
    DMF 3039.68
    toluene 1611.43
    isobutanol 1040.0
    1,4-dioxane 3385.8
    methyl acetate 1895.12
    THF 3692.95
    2-butanone 1844.33
    n-pentanol 638.31
    sec-butanol 966.05
    n-hexane 170.14
    ethylene glycol 237.02
    NMP 1476.07
    cyclohexane 281.61
    DMSO 1269.52
    n-butyl acetate 1637.24
    n-octanol 259.73
    chloroform 5517.05
    n-propyl acetate 1291.47
    acetic acid 1416.46
    dichloromethane 4066.01
    cyclohexanone 2010.19
    propylene glycol 327.77
    isopropyl acetate 2380.57
    DMAc 2188.95
    2-ethoxyethanol 1372.48
    isopentanol 1423.06
    n-heptane 58.73
    ethyl formate 1107.97
    1,2-dichloroethane 3222.74
    n-hexanol 834.18
    2-methoxyethanol 2225.21
    isobutyl acetate 955.13
    tetrachloromethane 888.12
    n-pentyl acetate 786.91
    transcutol 5681.25
    n-heptanol 341.94
    ethylbenzene 712.73
    MIBK 1563.83
    2-propoxyethanol 1908.15
    tert-butanol 1866.46
    MTBE 3118.71
    2-butoxyethanol 945.18
    propionic acid 887.53
    o-xylene 857.57
    formic acid 593.9
    diethyl ether 2782.6
    m-xylene 1152.45
    p-xylene 845.38
    chlorobenzene 1884.02
    dimethyl carbonate 1097.52
    n-octane 25.34
    formamide 1269.28
    cyclopentanone 2213.19
    2-pentanone 2063.58
    anisole 1648.07
    cyclopentyl methyl ether 2118.08
    gamma-butyrolactone 2406.1
    1-methoxy-2-propanol 2015.93
    pyridine 2280.19
    3-pentanone 1520.22
    furfural 2215.13
    n-dodecane 18.28
    diethylene glycol 1238.9
    diisopropyl ether 1110.31
    tert-amyl alcohol 1396.02
    acetylacetone 2577.93
    n-hexadecane 22.43
    acetophenone 1130.46
    methyl propionate 1895.63
    isopentyl acetate 1723.68
    trichloroethylene 5600.32
    n-nonanol 265.88
    cyclohexanol 1014.41
    benzyl alcohol 874.51
    2-ethylhexanol 454.01
    isooctanol 320.37
    dipropyl ether 697.78
    1,2-dichlorobenzene 1691.14
    ethyl lactate 486.3
    propylene carbonate 1572.25
    n-methylformamide 1421.96
    2-pentanol 1005.1
    n-pentane 181.27
    1-propoxy-2-propanol 1212.73
    1-methoxy-2-propyl acetate 2286.71
    2-(2-methoxypropoxy) propanol 987.34
    mesitylene 720.1
    ε-caprolactone 1974.72
    p-cymene 330.88
    epichlorohydrin 4064.33
    1,1,1-trichloroethane 3428.53
    2-aminoethanol 598.8
    morpholine-4-carbaldehyde 2754.37
    sulfolane 1872.84
    2,2,4-trimethylpentane 134.01
    2-methyltetrahydrofuran 2652.45
    n-hexyl acetate 962.13
    isooctane 137.39
    2-(2-butoxyethoxy)ethanol 1406.41
    sec-butyl acetate 1261.99
    tert-butyl acetate 2531.06
    decalin 158.45
    glycerin 500.99
    diglyme 2694.58
    acrylic acid 745.02
    isopropyl myristate 347.46
    n-butyric acid 1642.57
    acetyl acetate 1928.53
    di(2-ethylhexyl) phthalate 326.52
    ethyl propionate 1264.68
    nitromethane 2801.72
    1,2-diethoxyethane 2196.86
    benzonitrile 1146.39
    trioctyl phosphate 214.28
    1-bromopropane 1733.35
    gamma-valerolactone 3231.84
    n-decanol 189.1
    triethyl phosphate 418.02
    4-methyl-2-pentanol 792.32
    propionitrile 1212.75
    vinylene carbonate 1479.91
    1,1,2-trichlorotrifluoroethane 2125.58
    DMS 1292.13
    cumene 483.4
    2-octanol 217.41
    2-hexanone 1007.35
    octyl acetate 424.67
    limonene 409.8
    1,2-dimethoxyethane 2381.9
    ethyl orthosilicate 439.32
    tributyl phosphate 318.49
    diacetone alcohol 1696.07
    N,N-dimethylaniline 919.39
    acrylonitrile 1385.9
    aniline 1608.28
    1,3-propanediol 1050.39
    bromobenzene 2058.76
    dibromomethane 2675.75
    1,1,2,2-tetrachloroethane 4494.54
    2-methyl-cyclohexyl acetate 700.19
    tetrabutyl urea 326.52
    diisobutyl methanol 331.08
    2-phenylethanol 948.13
    styrene 899.57
    dioctyl adipate 467.88
    dimethyl sulfate 1308.56
    ethyl butyrate 946.28
    methyl lactate 761.43
    butyl lactate 556.26
    diethyl carbonate 678.39
    propanediol butyl ether 640.28
    triethyl orthoformate 692.69
    p-tert-butyltoluene 348.47
    methyl 4-tert-butylbenzoate 828.24
    morpholine 3446.28
    tert-butylamine 1346.35
    n-dodecanol 140.88
    dimethoxymethane 2749.9
    ethylene carbonate 1378.21
    cyrene 624.56
    2-ethoxyethyl acetate 1639.5
    2-ethylhexyl acetate 1210.72
    1,2,4-trichlorobenzene 1915.4
    4-methylpyridine 2736.2
    dibutyl ether 523.18
    2,6-dimethyl-4-heptanol 331.08
    DEF 2156.86
    dimethyl isosorbide 1430.22
    tetrachloroethylene 2623.13
    eugenol 721.7
    triacetin 954.45
    span 80 617.62
    1,4-butanediol 350.55
    1,1-dichloroethane 3494.98
    2-methyl-1-pentanol 802.01
    methyl formate 1062.87
    2-methyl-1-butanol 1127.23
    n-decane 33.48
    butyronitrile 1256.9
    3,7-dimethyl-1-octanol 432.32
    1-chlorooctane 209.51
    1-chlorotetradecane 81.29
    n-nonane 28.94
    undecane 23.76
    tert-butylcyclohexane 157.32
    cyclooctane 101.15
    cyclopentanol 887.74
    tetrahydropyran 2918.5
    tert-amyl methyl ether 1911.88
    2,5,8-trioxanonane 1523.58
    1-hexene 525.4
    2-isopropoxyethanol 1091.65
    2,2,2-trifluoroethanol 812.59
    methyl butyrate 1387.52

    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