formic acid;trifluoroborane;(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

  • Identifiers

    Molecular formula
    C16H26BF3O2

    SMILES
    B(F)(F)F.C[C@]12CCCC([C@H]3[C@H]1CC[C@@H]3C2=C)(C)C.C(=O)O

  • Odor profile

    Fragrance
    Odorless 59.77%
    Fishy 39.13%
    Meaty 21.33%
    Ripe 20.85%
    Sweet 20.64%
    Savory 19.43%
    Cheesy 18.37%
    Sulfurous 17.88%
    Animal 15.06%
    Cooling 15.05%

     

    Flavor
    Odorless 39.83%
    Sulfury 28.86%
    Sulfurous 27.38%
    Meaty 25.8%
    Fishy 24.32%
    Roasted 20.4%
    Mild 19.06%
    Mousy 18.91%
    Glue 18.81%
    Bloody 18.79%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    7.68 (neutral)

    Molecular weight
    318.2 g/mol

    Flash point

    • -32.74 ˚C est.

  • Synonyms

    • Longifolene formate
    • HOKLZFKWIGQGKB-RBSNQCIISA-N
    • EINECS 272-483-8
    • NS00124308
  • Applications

    formic acid;trifluoroborane;(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane has practical applications across several industries: formic acid is used as a chemical intermediate and solvent in organic synthesis; as an acidulant and preservative in agriculture and animal feed (e.g., silage), and in leather and textile processing; trifluoroborane functions as a Lewis acid catalyst for organic reactions (such as hydroboration and formylation) and as a precursor for boron-containing reagents used in polymerization and related transformations; the third compound is primarily employed as a fragrance ingredient/odorant and can serve as an intermediate in fragrance chemistry, providing scent contributions in perfumery and, in some cases, as a functional additive in coatings or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 372.94
    methanol 544.03
    isopropanol 321.36
    water 135.17
    ethyl acetate 72.4
    n-propanol 248.9
    acetone 220.65
    n-butanol 213.11
    acetonitrile 147.71
    DMF 573.78
    toluene 35.17
    isobutanol 158.64
    1,4-dioxane 146.03
    methyl acetate 91.63
    THF 291.38
    2-butanone 118.32
    n-pentanol 140.39
    sec-butanol 202.76
    n-hexane 39.77
    ethylene glycol 244.2
    NMP 242.39
    cyclohexane 26.58
    DMSO 672.61
    n-butyl acetate 47.0
    n-octanol 82.39
    chloroform 93.7
    n-propyl acetate 50.11
    acetic acid 149.86
    dichloromethane 113.73
    cyclohexanone 79.13
    propylene glycol 186.0
    isopropyl acetate 54.61
    DMAc 292.95
    2-ethoxyethanol 215.0
    isopentanol 146.12
    n-heptane 33.19
    ethyl formate 84.41
    1,2-dichloroethane 102.99
    n-hexanol 109.67
    2-methoxyethanol 395.98
    isobutyl acetate 25.57
    tetrachloromethane 35.01
    n-pentyl acetate 54.63
    transcutol 181.03
    n-heptanol 86.31
    ethylbenzene 25.02
    MIBK 70.62
    2-propoxyethanol 186.99
    tert-butanol 327.57
    MTBE 149.39
    2-butoxyethanol 132.58
    propionic acid 115.98
    o-xylene 36.62
    formic acid 196.43
    diethyl ether 179.82
    m-xylene 34.02
    p-xylene 27.0
    chlorobenzene 28.6
    dimethyl carbonate 71.48
    n-octane 18.02
    formamide 284.21
    cyclopentanone 128.67
    2-pentanone 110.08
    anisole 57.57
    cyclopentyl methyl ether 114.92
    gamma-butyrolactone 132.22
    1-methoxy-2-propanol 306.79
    pyridine 86.38
    3-pentanone 82.34
    furfural 113.42
    n-dodecane 13.62
    diethylene glycol 190.21
    diisopropyl ether 59.49
    tert-amyl alcohol 207.19
    acetylacetone 83.04
    n-hexadecane 13.81
    acetophenone 48.44
    methyl propionate 91.42
    isopentyl acetate 38.53
    trichloroethylene 83.85
    n-nonanol 71.33
    cyclohexanol 97.98
    benzyl alcohol 63.39
    2-ethylhexanol 54.17
    isooctanol 63.29
    dipropyl ether 84.26
    1,2-dichlorobenzene 28.95
    ethyl lactate 55.52
    propylene carbonate 62.18
    n-methylformamide 290.42
    2-pentanol 157.66
    n-pentane 61.85
    1-propoxy-2-propanol 128.33
    1-methoxy-2-propyl acetate 56.73
    2-(2-methoxypropoxy) propanol 84.67
    mesitylene 28.61
    ε-caprolactone 68.85
    p-cymene 25.87
    epichlorohydrin 138.07
    1,1,1-trichloroethane 54.08
    2-aminoethanol 279.43
    morpholine-4-carbaldehyde 193.69
    sulfolane 180.97
    2,2,4-trimethylpentane 21.03
    2-methyltetrahydrofuran 149.07
    n-hexyl acetate 63.83
    isooctane 18.14
    2-(2-butoxyethoxy)ethanol 117.58
    sec-butyl acetate 32.85
    tert-butyl acetate 66.0
    decalin 12.73
    glycerin 219.84
    diglyme 179.69
    acrylic acid 110.12
    isopropyl myristate 35.0
    n-butyric acid 103.61
    acetyl acetate 35.75
    di(2-ethylhexyl) phthalate 32.06
    ethyl propionate 53.16
    nitromethane 188.99
    1,2-diethoxyethane 78.63
    benzonitrile 43.15
    trioctyl phosphate 31.69
    1-bromopropane 88.92
    gamma-valerolactone 138.88
    n-decanol 57.28
    triethyl phosphate 29.26
    4-methyl-2-pentanol 87.44
    propionitrile 111.95
    vinylene carbonate 54.13
    1,1,2-trichlorotrifluoroethane 117.7
    DMS 42.31
    cumene 24.14
    2-octanol 69.99
    2-hexanone 64.47
    octyl acetate 44.36
    limonene 33.21
    1,2-dimethoxyethane 261.67
    ethyl orthosilicate 31.63
    tributyl phosphate 29.75
    diacetone alcohol 107.31
    N,N-dimethylaniline 62.66
    acrylonitrile 126.49
    aniline 64.48
    1,3-propanediol 247.89
    bromobenzene 23.25
    dibromomethane 95.2
    1,1,2,2-tetrachloroethane 92.23
    2-methyl-cyclohexyl acetate 33.13
    tetrabutyl urea 49.8
    diisobutyl methanol 45.31
    2-phenylethanol 55.47
    styrene 27.41
    dioctyl adipate 39.43
    dimethyl sulfate 109.35
    ethyl butyrate 43.12
    methyl lactate 96.26
    butyl lactate 55.76
    diethyl carbonate 29.56
    propanediol butyl ether 119.45
    triethyl orthoformate 36.5
    p-tert-butyltoluene 28.22
    methyl 4-tert-butylbenzoate 69.12
    morpholine 195.3
    tert-butylamine 225.88
    n-dodecanol 46.2
    dimethoxymethane 328.03
    ethylene carbonate 48.55
    cyrene 70.95
    2-ethoxyethyl acetate 58.43
    2-ethylhexyl acetate 30.48
    1,2,4-trichlorobenzene 32.3
    4-methylpyridine 80.76
    dibutyl ether 55.5
    2,6-dimethyl-4-heptanol 45.31
    DEF 140.12
    dimethyl isosorbide 99.68
    tetrachloroethylene 74.32
    eugenol 81.91
    triacetin 49.03
    span 80 79.77
    1,4-butanediol 125.15
    1,1-dichloroethane 81.67
    2-methyl-1-pentanol 92.35
    methyl formate 182.37
    2-methyl-1-butanol 133.74
    n-decane 19.73
    butyronitrile 101.12
    3,7-dimethyl-1-octanol 58.29
    1-chlorooctane 40.45
    1-chlorotetradecane 21.47
    n-nonane 20.67
    undecane 15.92
    tert-butylcyclohexane 13.91
    cyclooctane 14.47
    cyclopentanol 137.58
    tetrahydropyran 123.58
    tert-amyl methyl ether 120.04
    2,5,8-trioxanonane 130.3
    1-hexene 66.53
    2-isopropoxyethanol 129.8
    2,2,2-trifluoroethanol 83.33
    methyl butyrate 64.79

    Scent© AI

1 of 4
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