3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58096-47-2

    Molecular formula
    C16H26O2

    SMILES
    CC1(CC(C23C1CCC(C2)(CCC3)C)OC=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.95%
    Amber 58.39%
    Dry 53.37%
    Cedar 52.19%
    Spicy 41.56%
    Balsamic 38.28%
    Vetiver 37.73%
    Pine 37.03%
    Camphoreous 35.09%
    Musk 34.85%

     

    Flavor
    Woody 55.28%
    Sweet 43.49%
    Herbal 41.61%
    Camphor 41.55%
    Earthy 39.01%
    Pine 37.51%
    Green 35.26%
    Balsam 35.16%
    Spicy 34.17%
    Dry 30.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.98 (neutral)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 151.03 ˚C est.

  • Synonyms

    • 58096-47-2
    • 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formate
    • EINECS 261-118-8
    • DTXSID10866674
    • 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate
    • Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-ylformate
    • RefChem:95549
    • DTXCID10814938
    • Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate
    • (4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate
    • 1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl formate
    • SCHEMBL30689542
    • WXBDWVKJVASAHR-UHFFFAOYSA-N
    • NS00053390
    • F11903
    • 1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-ylformate
    • 58096-47-2

  • Applications

    3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate (CAS 58096-47-2) is an ester of a rigid polycyclic alicyclic alcohol with a cyclopentacyclooctene skeleton. In practice it is typically used as an intermediate and a chiral building block in fine chemical synthesis to enable the preparation of more complex molecules. In the fragrance and cosmetics industries, it may function as a fragrance ingredient or intermediate for the development of aroma compounds. In pharmaceutical synthesis, it can serve as a chiral scaffold or synthetic precursor for active compounds, and in materials science it can act as a rigid framework for specialty polymers or advanced materials, depending on formulation and processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.21
    methanol 120.59
    isopropanol 134.01
    water 0.7
    ethyl acetate 315.92
    n-propanol 153.02
    acetone 337.89
    n-butanol 149.4
    acetonitrile 197.05
    DMF 379.0
    toluene 477.94
    isobutanol 120.69
    1,4-dioxane 468.44
    methyl acetate 259.05
    THF 1069.37
    2-butanone 345.63
    n-pentanol 63.81
    sec-butanol 89.9
    n-hexane 6.77
    ethylene glycol 25.12
    NMP 417.34
    cyclohexane 32.72
    DMSO 208.45
    n-butyl acetate 238.58
    n-octanol 53.72
    chloroform 1137.22
    n-propyl acetate 170.63
    acetic acid 138.75
    dichloromethane 810.04
    cyclohexanone 610.66
    propylene glycol 42.04
    isopropyl acetate 250.62
    DMAc 268.06
    2-ethoxyethanol 96.27
    isopentanol 127.54
    n-heptane 9.26
    ethyl formate 195.67
    1,2-dichloroethane 463.52
    n-hexanol 127.44
    2-methoxyethanol 209.6
    isobutyl acetate 147.05
    tetrachloromethane 136.12
    n-pentyl acetate 153.28
    transcutol 370.58
    n-heptanol 67.68
    ethylbenzene 142.38
    MIBK 214.64
    2-propoxyethanol 240.13
    tert-butanol 126.51
    MTBE 120.84
    2-butoxyethanol 133.16
    propionic acid 151.31
    o-xylene 203.04
    formic acid 50.36
    diethyl ether 164.44
    m-xylene 278.56
    p-xylene 190.37
    chlorobenzene 488.8
    dimethyl carbonate 158.05
    n-octane 4.44
    formamide 85.26
    cyclopentanone 804.95
    2-pentanone 304.07
    anisole 220.81
    cyclopentyl methyl ether 393.45
    gamma-butyrolactone 802.14
    1-methoxy-2-propanol 213.5
    pyridine 630.97
    3-pentanone 215.63
    furfural 605.75
    n-dodecane 4.05
    diethylene glycol 150.57
    diisopropyl ether 70.4
    tert-amyl alcohol 77.08
    acetylacetone 352.12
    n-hexadecane 5.12
    acetophenone 238.77
    methyl propionate 248.05
    isopentyl acetate 230.68
    trichloroethylene 1007.31
    n-nonanol 53.58
    cyclohexanol 184.94
    benzyl alcohol 171.26
    2-ethylhexanol 81.63
    isooctanol 60.36
    dipropyl ether 92.24
    1,2-dichlorobenzene 400.03
    ethyl lactate 95.79
    propylene carbonate 466.04
    n-methylformamide 210.6
    2-pentanol 88.01
    n-pentane 11.02
    1-propoxy-2-propanol 173.14
    1-methoxy-2-propyl acetate 286.9
    2-(2-methoxypropoxy) propanol 131.07
    mesitylene 159.24
    ε-caprolactone 489.4
    p-cymene 95.12
    epichlorohydrin 773.08
    1,1,1-trichloroethane 466.98
    2-aminoethanol 60.49
    morpholine-4-carbaldehyde 399.08
    sulfolane 561.02
    2,2,4-trimethylpentane 8.91
    2-methyltetrahydrofuran 493.62
    n-hexyl acetate 189.23
    isooctane 9.85
    2-(2-butoxyethoxy)ethanol 152.68
    sec-butyl acetate 145.17
    tert-butyl acetate 233.95
    decalin 20.21
    glycerin 68.24
    diglyme 294.03
    acrylic acid 144.58
    isopropyl myristate 70.72
    n-butyric acid 245.55
    acetyl acetate 239.47
    di(2-ethylhexyl) phthalate 84.96
    ethyl propionate 164.11
    nitromethane 318.83
    1,2-diethoxyethane 145.25
    benzonitrile 323.33
    trioctyl phosphate 61.81
    1-bromopropane 243.91
    gamma-valerolactone 830.11
    n-decanol 39.67
    triethyl phosphate 85.72
    4-methyl-2-pentanol 72.16
    propionitrile 232.02
    vinylene carbonate 439.27
    1,1,2-trichlorotrifluoroethane 337.25
    DMS 210.73
    cumene 91.59
    2-octanol 44.84
    2-hexanone 158.92
    octyl acetate 87.52
    limonene 102.58
    1,2-dimethoxyethane 209.49
    ethyl orthosilicate 81.47
    tributyl phosphate 74.84
    diacetone alcohol 195.28
    N,N-dimethylaniline 142.92
    acrylonitrile 288.18
    aniline 324.43
    1,3-propanediol 109.82
    bromobenzene 561.52
    dibromomethane 518.37
    1,1,2,2-tetrachloroethane 699.63
    2-methyl-cyclohexyl acetate 151.28
    tetrabutyl urea 89.11
    diisobutyl methanol 59.03
    2-phenylethanol 215.45
    styrene 172.62
    dioctyl adipate 104.24
    dimethyl sulfate 210.44
    ethyl butyrate 157.19
    methyl lactate 136.43
    butyl lactate 133.13
    diethyl carbonate 119.6
    propanediol butyl ether 109.21
    triethyl orthoformate 121.34
    p-tert-butyltoluene 92.07
    methyl 4-tert-butylbenzoate 188.86
    morpholine 476.16
    tert-butylamine 73.96
    n-dodecanol 29.75
    dimethoxymethane 305.81
    ethylene carbonate 371.78
    cyrene 166.56
    2-ethoxyethyl acetate 212.51
    2-ethylhexyl acetate 185.06
    1,2,4-trichlorobenzene 439.42
    4-methylpyridine 592.73
    dibutyl ether 59.58
    2,6-dimethyl-4-heptanol 59.03
    DEF 232.28
    dimethyl isosorbide 301.06
    tetrachloroethylene 422.63
    eugenol 172.0
    triacetin 194.17
    span 80 118.94
    1,4-butanediol 34.92
    1,1-dichloroethane 487.65
    2-methyl-1-pentanol 64.67
    methyl formate 190.95
    2-methyl-1-butanol 97.66
    n-decane 7.22
    butyronitrile 237.1
    3,7-dimethyl-1-octanol 68.27
    1-chlorooctane 47.93
    1-chlorotetradecane 17.9
    n-nonane 6.0
    undecane 5.24
    tert-butylcyclohexane 16.47
    cyclooctane 13.56
    cyclopentanol 207.47
    tetrahydropyran 497.17
    tert-amyl methyl ether 86.7
    2,5,8-trioxanonane 185.58
    1-hexene 38.9
    2-isopropoxyethanol 85.88
    2,2,2-trifluoroethanol 89.18
    methyl butyrate 204.66

    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