3H-Naphth[1,8a-b]oxiren-7-ol, octahydro-4,4,7-trimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68845-01-2

    Molecular formula
    C13H22O2

    SMILES
    CC1(CCC2C3(C1CCC(C3)(C)O)O2)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.83%
    Camphoreous 50.03%
    Earthy 45.98%
    Amber 45.27%
    Pine 41.3%
    Sweet 39.6%
    Balsamic 39.4%
    Herbal 39.05%
    Mint 38.81%
    Dry 38.47%

     

    Flavor
    Earthy 45.41%
    Minty 38.62%
    Herbal 34.91%
    Earth 33.3%
    Camphor 32.85%
    Sweet 32.45%
    Green 32.15%
    Pine 31.05%
    Spicy 30.61%
    Fresh 29.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.27 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    307°C

    Flash point

    • 145.26 ˚C est.

  • Synonyms

    • 3H-Naphth[1,8a-b]oxiren-7-ol, octahydro-4,4,7-trimethyl-
    • 8,8a-Epoxy-decahydro-2,5,5-trimethyl-2-naphthol
    • EINECS 272-448-7
    • DTXSID30867724
    • Octahydro-4,4,7-trimethyl-3H-naphth[1,8a-b]oxiren-7-ol
    • 3H-Naphth(1,8a-b)oxiren-7-ol, octahydro-4,4,7-trimethyl-
    • Octahydro-4,4,7-trimethyl-3H-naphth(1,8a-b)oxiren-7-ol
    • RefChem:283191
    • DTXCID20815890
    • 272-448-7
    • 68845-01-2
    • 4,4,7-trimethyl-2,3,4a,5,6,8-hexahydro-1aH-naphtho[1,8a-b]oxiren-7-ol
    • SCHEMBL20471521
    • QVVMFJUENNEJOJ-UHFFFAOYSA-N
    • NS00013079
    • 4,4,7-Trimethyloctahydro-1aH-naphtho[1,8a-b]oxiren-7-ol
    • 68845-01-2

  • Applications

    3H-Naphth[1,8a-b]oxiren-7-ol, octahydro-4,4,7-trimethyl- (CAS 68845-01-2) is a polycyclic epoxide-alcohol that is typically encountered as a synthetic intermediate in organic synthesis. In practical applications, it may be used as a fragrance intermediate or odorant for perfumery and cosmetics, contributing to distinctive scent profiles; it may also serve as a reactive building block in polymer and coating chemistries, for example as an epoxy-functional intermediate in epoxy resin formulations for coatings and printing inks. Additionally, it is commonly evaluated as a chemical intermediate in broader industrial manufacturing workflows to enable downstream transformations toward more specialized molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.84
    methanol 113.04
    isopropanol 71.41
    water 1.03
    ethyl acetate 96.2
    n-propanol 68.49
    acetone 118.85
    n-butanol 68.62
    acetonitrile 111.96
    DMF 141.77
    toluene 75.18
    isobutanol 52.06
    1,4-dioxane 225.67
    methyl acetate 99.19
    THF 422.97
    2-butanone 94.72
    n-pentanol 42.96
    sec-butanol 47.85
    n-hexane 4.88
    ethylene glycol 29.87
    NMP 143.46
    cyclohexane 14.37
    DMSO 109.85
    n-butyl acetate 82.99
    n-octanol 44.08
    chloroform 279.65
    n-propyl acetate 64.81
    acetic acid 101.52
    dichloromethane 210.09
    cyclohexanone 162.86
    propylene glycol 46.31
    isopropyl acetate 74.1
    DMAc 110.48
    2-ethoxyethanol 72.47
    isopentanol 57.67
    n-heptane 7.97
    ethyl formate 70.02
    1,2-dichloroethane 86.25
    n-hexanol 78.27
    2-methoxyethanol 134.34
    isobutyl acetate 60.85
    tetrachloromethane 35.26
    n-pentyl acetate 60.58
    transcutol 260.15
    n-heptanol 42.47
    ethylbenzene 31.68
    MIBK 68.5
    2-propoxyethanol 153.53
    tert-butanol 76.07
    MTBE 65.38
    2-butoxyethanol 81.5
    propionic acid 71.4
    o-xylene 43.58
    formic acid 45.54
    diethyl ether 76.48
    m-xylene 52.99
    p-xylene 46.19
    chlorobenzene 88.04
    dimethyl carbonate 54.13
    n-octane 3.29
    formamide 61.5
    cyclopentanone 206.27
    2-pentanone 85.19
    anisole 74.13
    cyclopentyl methyl ether 118.51
    gamma-butyrolactone 217.86
    1-methoxy-2-propanol 119.95
    pyridine 150.3
    3-pentanone 63.27
    furfural 172.04
    n-dodecane 3.9
    diethylene glycol 127.05
    diisopropyl ether 29.99
    tert-amyl alcohol 49.21
    acetylacetone 115.61
    n-hexadecane 4.52
    acetophenone 72.46
    methyl propionate 79.72
    isopentyl acetate 84.7
    trichloroethylene 185.84
    n-nonanol 41.86
    cyclohexanol 68.92
    benzyl alcohol 62.67
    2-ethylhexanol 46.6
    isooctanol 36.15
    dipropyl ether 54.87
    1,2-dichlorobenzene 79.06
    ethyl lactate 48.85
    propylene carbonate 131.11
    n-methylformamide 82.24
    2-pentanol 44.48
    n-pentane 6.64
    1-propoxy-2-propanol 111.16
    1-methoxy-2-propyl acetate 107.39
    2-(2-methoxypropoxy) propanol 91.64
    mesitylene 33.75
    ε-caprolactone 140.46
    p-cymene 32.09
    epichlorohydrin 189.48
    1,1,1-trichloroethane 95.89
    2-aminoethanol 54.43
    morpholine-4-carbaldehyde 171.18
    sulfolane 167.26
    2,2,4-trimethylpentane 5.08
    2-methyltetrahydrofuran 178.93
    n-hexyl acetate 91.07
    isooctane 5.38
    2-(2-butoxyethoxy)ethanol 113.88
    sec-butyl acetate 50.4
    tert-butyl acetate 81.76
    decalin 8.63
    glycerin 68.08
    diglyme 173.88
    acrylic acid 68.81
    isopropyl myristate 43.07
    n-butyric acid 91.48
    acetyl acetate 87.02
    di(2-ethylhexyl) phthalate 48.88
    ethyl propionate 57.89
    nitromethane 151.73
    1,2-diethoxyethane 84.15
    benzonitrile 96.24
    trioctyl phosphate 36.66
    1-bromopropane 57.58
    gamma-valerolactone 238.69
    n-decanol 32.52
    triethyl phosphate 41.93
    4-methyl-2-pentanol 37.52
    propionitrile 81.34
    vinylene carbonate 130.78
    1,1,2-trichlorotrifluoroethane 124.65
    DMS 79.08
    cumene 25.5
    2-octanol 28.56
    2-hexanone 65.16
    octyl acetate 52.14
    limonene 40.29
    1,2-dimethoxyethane 130.38
    ethyl orthosilicate 39.87
    tributyl phosphate 42.15
    diacetone alcohol 87.93
    N,N-dimethylaniline 49.79
    acrylonitrile 96.53
    aniline 76.67
    1,3-propanediol 78.02
    bromobenzene 89.33
    dibromomethane 121.83
    1,1,2,2-tetrachloroethane 139.86
    2-methyl-cyclohexyl acetate 74.02
    tetrabutyl urea 48.72
    diisobutyl methanol 34.46
    2-phenylethanol 82.66
    styrene 37.07
    dioctyl adipate 58.53
    dimethyl sulfate 64.8
    ethyl butyrate 67.02
    methyl lactate 63.39
    butyl lactate 63.89
    diethyl carbonate 53.07
    propanediol butyl ether 86.3
    triethyl orthoformate 57.03
    p-tert-butyltoluene 32.95
    methyl 4-tert-butylbenzoate 77.59
    morpholine 208.72
    tert-butylamine 48.55
    n-dodecanol 25.21
    dimethoxymethane 142.96
    ethylene carbonate 112.94
    cyrene 92.65
    2-ethoxyethyl acetate 89.96
    2-ethylhexyl acetate 69.16
    1,2,4-trichlorobenzene 91.28
    4-methylpyridine 127.37
    dibutyl ether 41.55
    2,6-dimethyl-4-heptanol 34.46
    DEF 71.67
    dimethyl isosorbide 156.35
    tetrachloroethylene 88.22
    eugenol 73.24
    triacetin 94.06
    span 80 88.1
    1,4-butanediol 33.55
    1,1-dichloroethane 98.28
    2-methyl-1-pentanol 39.42
    methyl formate 74.87
    2-methyl-1-butanol 47.16
    n-decane 6.32
    butyronitrile 85.93
    3,7-dimethyl-1-octanol 47.34
    1-chlorooctane 26.79
    1-chlorotetradecane 12.43
    n-nonane 5.3
    undecane 4.83
    tert-butylcyclohexane 7.85
    cyclooctane 6.16
    cyclopentanol 88.67
    tetrahydropyran 181.99
    tert-amyl methyl ether 45.68
    2,5,8-trioxanonane 132.61
    1-hexene 18.78
    2-isopropoxyethanol 60.37
    2,2,2-trifluoroethanol 47.48
    methyl butyrate 69.87

    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