Isolongifolene epoxide

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  • Identifiers

    CAS number
    67999-56-8

    Molecular formula
    C15H24O

    SMILES
    CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 86.39%
    Amber 54.85%
    Dry 53.09%
    Cedar 47.26%
    Herbal 45.59%
    Camphoreous 45.18%
    Earthy 44.65%
    Pine 41.65%
    Vetiver 39.63%
    Spicy 39.14%

     

    Flavor
    Woody 57.72%
    Camphor 56.97%
    Earthy 49.36%
    Pine 44.07%
    Earth 40.0%
    Herbal 39.5%
    Sweet 36.81%
    Spicy 32.35%
    Dry 31.77%
    Balsam 31.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.81 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    286°C

    Flash point

    • 107.15 ˚C est.

  • Synonyms

    • Isolongifolene oxide
    • Isolongifolene epoxide
    • 4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-
    • 67999-56-8
    • EINECS 247-851-6
    • EINECS 268-066-5
    • DTXSID90865307
    • 2,2,7,7-Tetramethyl-5,6-epoxytricyclo-(6.2.1.0(1,6))undecane
    • Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene
    • 2H,2alpha,4aalpha-Methanonaphthalene, 8,8alpha-epoxyoctahydro-1,1,5,5-tetramethyl-
    • 4a,7-Methano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,8,8-tetramethyl-
    • Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene
    • 26619-69-2
    • SCHEMBL3505567
    • DTXCID40813732
    • NS00012705
    • 4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene
    • 4a,7-Methano-4aH-naphth1,8a-boxirene, octahydro-4,4,8,8-tetramethyl-
    • Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxir- ene
    • Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxir-ene
    • (1aR-(1aalpha,4aalpha,7alpha,8aS*))-Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene
    • 268-066-5

  • Applications

    Isolongifolene epoxide (CAS 67999-56-8) is primarily used as an intermediate and building block in the synthesis of fragrance compounds for the aroma industry. In perfumery, it is commonly transformed to yield more complex aroma materials and can serve as a base or intermediate in formulations for perfumes and other scented products. It is also evaluated for use in cosmetics and personal care as a fragrance ingredient. In household cleaning products and air fresheners, it may appear as a fragrance component. As a terpenoid-derived epoxide, it can be employed as a precursor in polymer and coatings applications to develop scent-containing materials or to modify odor profiles of systems. In industrial manufacturing, Isolongifolene epoxide may participate in synthesis routes to produce additional aroma compounds or derivatives, subject to process controls and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.66
    methanol 133.42
    isopropanol 114.25
    water 4.11
    ethyl acetate 254.4
    n-propanol 118.98
    acetone 293.15
    n-butanol 114.21
    acetonitrile 222.74
    DMF 388.17
    toluene 276.15
    isobutanol 98.52
    1,4-dioxane 445.07
    methyl acetate 237.19
    THF 686.17
    2-butanone 239.78
    n-pentanol 82.46
    sec-butanol 86.91
    n-hexane 28.72
    ethylene glycol 50.56
    NMP 307.17
    cyclohexane 54.87
    DMSO 187.87
    n-butyl acetate 212.0
    n-octanol 82.38
    chloroform 612.07
    n-propyl acetate 181.35
    acetic acid 129.31
    dichloromethane 485.93
    cyclohexanone 393.72
    propylene glycol 47.37
    isopropyl acetate 235.27
    DMAc 262.38
    2-ethoxyethanol 155.43
    isopentanol 107.23
    n-heptane 32.32
    ethyl formate 156.62
    1,2-dichloroethane 307.52
    n-hexanol 124.89
    2-methoxyethanol 246.1
    isobutyl acetate 163.94
    tetrachloromethane 169.11
    n-pentyl acetate 184.59
    transcutol 284.25
    n-heptanol 101.22
    ethylbenzene 149.85
    MIBK 203.71
    2-propoxyethanol 277.34
    tert-butanol 120.3
    MTBE 162.71
    2-butoxyethanol 195.34
    propionic acid 126.23
    o-xylene 181.07
    formic acid 60.15
    diethyl ether 203.16
    m-xylene 230.07
    p-xylene 200.79
    chlorobenzene 297.84
    dimethyl carbonate 195.78
    n-octane 18.8
    formamide 108.27
    cyclopentanone 522.65
    2-pentanone 244.12
    anisole 246.48
    cyclopentyl methyl ether 324.54
    gamma-butyrolactone 521.16
    1-methoxy-2-propanol 217.58
    pyridine 362.56
    3-pentanone 215.71
    furfural 428.38
    n-dodecane 15.6
    diethylene glycol 203.81
    diisopropyl ether 115.82
    tert-amyl alcohol 87.85
    acetylacetone 357.01
    n-hexadecane 18.58
    acetophenone 226.17
    methyl propionate 233.34
    isopentyl acetate 223.21
    trichloroethylene 562.92
    n-nonanol 82.72
    cyclohexanol 133.9
    benzyl alcohol 151.79
    2-ethylhexanol 98.65
    isooctanol 94.64
    dipropyl ether 143.34
    1,2-dichlorobenzene 300.51
    ethyl lactate 107.01
    propylene carbonate 286.39
    n-methylformamide 194.03
    2-pentanol 92.89
    n-pentane 32.29
    1-propoxy-2-propanol 194.64
    1-methoxy-2-propyl acetate 290.37
    2-(2-methoxypropoxy) propanol 144.73
    mesitylene 167.26
    ε-caprolactone 334.67
    p-cymene 110.33
    epichlorohydrin 512.41
    1,1,1-trichloroethane 361.69
    2-aminoethanol 80.16
    morpholine-4-carbaldehyde 413.97
    sulfolane 415.95
    2,2,4-trimethylpentane 23.05
    2-methyltetrahydrofuran 344.13
    n-hexyl acetate 208.33
    isooctane 26.96
    2-(2-butoxyethoxy)ethanol 172.97
    sec-butyl acetate 159.69
    tert-butyl acetate 260.36
    decalin 42.34
    glycerin 84.76
    diglyme 375.58
    acrylic acid 128.23
    isopropyl myristate 107.72
    n-butyric acid 168.55
    acetyl acetate 252.77
    di(2-ethylhexyl) phthalate 94.22
    ethyl propionate 197.14
    nitromethane 311.48
    1,2-diethoxyethane 179.95
    benzonitrile 247.83
    trioctyl phosphate 78.53
    1-bromopropane 180.65
    gamma-valerolactone 581.32
    n-decanol 63.17
    triethyl phosphate 112.71
    4-methyl-2-pentanol 85.15
    propionitrile 203.09
    vinylene carbonate 320.08
    1,1,2-trichlorotrifluoroethane 269.06
    DMS 235.93
    cumene 114.87
    2-octanol 73.12
    2-hexanone 171.71
    octyl acetate 114.42
    limonene 117.23
    1,2-dimethoxyethane 302.47
    ethyl orthosilicate 110.6
    tributyl phosphate 85.42
    diacetone alcohol 191.07
    N,N-dimethylaniline 165.6
    acrylonitrile 250.68
    aniline 193.39
    1,3-propanediol 119.21
    bromobenzene 339.57
    dibromomethane 312.51
    1,1,2,2-tetrachloroethane 395.93
    2-methyl-cyclohexyl acetate 172.58
    tetrabutyl urea 104.29
    diisobutyl methanol 81.64
    2-phenylethanol 192.9
    styrene 160.49
    dioctyl adipate 123.92
    dimethyl sulfate 236.72
    ethyl butyrate 180.61
    methyl lactate 130.09
    butyl lactate 127.06
    diethyl carbonate 138.87
    propanediol butyl ether 119.29
    triethyl orthoformate 147.39
    p-tert-butyltoluene 112.42
    methyl 4-tert-butylbenzoate 215.1
    morpholine 362.31
    tert-butylamine 91.42
    n-dodecanol 49.96
    dimethoxymethane 382.41
    ethylene carbonate 282.52
    cyrene 169.17
    2-ethoxyethyl acetate 235.46
    2-ethylhexyl acetate 195.7
    1,2,4-trichlorobenzene 315.76
    4-methylpyridine 351.51
    dibutyl ether 104.56
    2,6-dimethyl-4-heptanol 81.64
    DEF 220.94
    dimethyl isosorbide 274.12
    tetrachloroethylene 313.22
    eugenol 186.24
    triacetin 207.71
    span 80 123.3
    1,4-butanediol 60.75
    1,1-dichloroethane 299.28
    2-methyl-1-pentanol 80.25
    methyl formate 185.63
    2-methyl-1-butanol 94.65
    n-decane 25.74
    butyronitrile 180.45
    3,7-dimethyl-1-octanol 86.39
    1-chlorooctane 80.77
    1-chlorotetradecane 39.08
    n-nonane 22.02
    undecane 19.48
    tert-butylcyclohexane 39.29
    cyclooctane 33.95
    cyclopentanol 159.27
    tetrahydropyran 329.71
    tert-amyl methyl ether 126.41
    2,5,8-trioxanonane 228.07
    1-hexene 69.36
    2-isopropoxyethanol 133.35
    2,2,2-trifluoroethanol 117.35
    methyl butyrate 203.85

    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