Moxalone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94400-98-3

    Molecular formula
    C16H26O

    SMILES
    C[C@H]1CC(C2=C(C1(C)C)C[C@@]3([C@H](C2)O3)C)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.18%
    Amber 61.55%
    Musk 54.09%
    Dry 51.82%
    Cedar 45.4%
    Powdery 43.51%
    Spicy 38.84%
    Vetiver 37.3%
    Tobacco 33.19%
    Earthy 32.88%

     

    Flavor
    Woody 70.2%
    Camphor 60.19%
    Herbal 46.23%
    Pine 45.85%
    Earthy 44.21%
    Earth 36.27%
    Sweet 33.97%
    Green 33.03%
    Dry 32.75%
    Balsam 30.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    297°C

    Flash point

    • 125.28 ˚C est.

  • Synonyms

    • Moxalone
    • 94400-98-3
    • XRC77M2QTL
    • Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-
    • DTXSID50888739
    • Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-
    • NAPHTH(2,3-B)OXIRENE, 1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYL-, (1A.ALPHA.,4.ALPHA.,7A.ALPHA.)-
    • REL-(1AR,4S,7AS)-1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYLNAPHTH(2,3-B)OXIRENE
    • rel-(1aR,4S,7aS)-1a,2,3,4,5,6,7,7a-Octahydro-1a,3,3,4,6,6-hexamethylnaphth[2,3-b]oxirene
    • RefChem:201840
    • DTXCID001028015
    • 426-970-9
    • 639-635-9
    • NAPHTH(2,3-B)OXIRENE, 1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYL-, (1AALPHA,4ALPHA,7AALPHA)-
    • UNII-XRC77M2QTL
    • (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene
    • OHHWFLWQMHUVFQ-YNZJMPHRSA-N
    • (1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene
    • 94400-98-3

  • Applications

    Moxalone (CAS 94400-98-3) is used as an organic synthesis intermediate and may serve as a solvent in industrial formulations. In practice, it is evaluated for use as an intermediate in organic synthesis, a solvent for coatings and inks, an odorant or fixative fragrance ingredient in perfumery and cosmetics, an additive for plastics processing and polymer stabilization, and may be considered for cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.74
    methanol 38.55
    isopropanol 57.31
    water 0.36
    ethyl acetate 99.94
    n-propanol 62.63
    acetone 113.48
    n-butanol 56.14
    acetonitrile 78.17
    DMF 144.97
    toluene 125.04
    isobutanol 51.65
    1,4-dioxane 193.43
    methyl acetate 114.72
    THF 306.92
    2-butanone 129.61
    n-pentanol 42.63
    sec-butanol 50.27
    n-hexane 10.52
    ethylene glycol 15.17
    NMP 136.22
    cyclohexane 23.2
    DMSO 74.57
    n-butyl acetate 108.45
    n-octanol 51.7
    chloroform 269.12
    n-propyl acetate 78.9
    acetic acid 38.36
    dichloromethane 184.46
    cyclohexanone 183.85
    propylene glycol 24.66
    isopropyl acetate 84.83
    DMAc 154.45
    2-ethoxyethanol 66.64
    isopentanol 50.83
    n-heptane 15.67
    ethyl formate 62.13
    1,2-dichloroethane 105.87
    n-hexanol 78.86
    2-methoxyethanol 92.53
    isobutyl acetate 78.5
    tetrachloromethane 53.17
    n-pentyl acetate 87.02
    transcutol 128.21
    n-heptanol 53.75
    ethylbenzene 78.39
    MIBK 85.59
    2-propoxyethanol 133.6
    tert-butanol 61.86
    MTBE 85.1
    2-butoxyethanol 84.26
    propionic acid 49.29
    o-xylene 85.16
    formic acid 11.82
    diethyl ether 86.91
    m-xylene 94.61
    p-xylene 107.38
    chlorobenzene 119.53
    dimethyl carbonate 55.36
    n-octane 8.4
    formamide 24.46
    cyclopentanone 218.17
    2-pentanone 103.55
    anisole 124.38
    cyclopentyl methyl ether 124.73
    gamma-butyrolactone 182.52
    1-methoxy-2-propanol 90.33
    pyridine 172.53
    3-pentanone 95.52
    furfural 154.85
    n-dodecane 7.84
    diethylene glycol 81.97
    diisopropyl ether 40.04
    tert-amyl alcohol 51.04
    acetylacetone 120.06
    n-hexadecane 9.37
    acetophenone 117.16
    methyl propionate 95.72
    isopentyl acetate 116.36
    trichloroethylene 201.97
    n-nonanol 51.85
    cyclohexanol 62.09
    benzyl alcohol 82.21
    2-ethylhexanol 59.42
    isooctanol 45.91
    dipropyl ether 70.66
    1,2-dichlorobenzene 109.88
    ethyl lactate 51.04
    propylene carbonate 110.2
    n-methylformamide 58.74
    2-pentanol 42.59
    n-pentane 11.44
    1-propoxy-2-propanol 101.09
    1-methoxy-2-propyl acetate 131.61
    2-(2-methoxypropoxy) propanol 85.01
    mesitylene 62.21
    ε-caprolactone 149.94
    p-cymene 63.31
    epichlorohydrin 186.98
    1,1,1-trichloroethane 133.41
    2-aminoethanol 31.55
    morpholine-4-carbaldehyde 175.21
    sulfolane 147.82
    2,2,4-trimethylpentane 7.97
    2-methyltetrahydrofuran 177.8
    n-hexyl acetate 116.25
    isooctane 7.93
    2-(2-butoxyethoxy)ethanol 91.08
    sec-butyl acetate 69.24
    tert-butyl acetate 90.77
    decalin 17.15
    glycerin 28.51
    diglyme 163.47
    acrylic acid 42.05
    isopropyl myristate 55.26
    n-butyric acid 61.95
    acetyl acetate 77.06
    di(2-ethylhexyl) phthalate 56.05
    ethyl propionate 78.39
    nitromethane 88.57
    1,2-diethoxyethane 82.86
    benzonitrile 119.65
    trioctyl phosphate 42.06
    1-bromopropane 77.64
    gamma-valerolactone 241.37
    n-decanol 39.56
    triethyl phosphate 55.17
    4-methyl-2-pentanol 36.88
    propionitrile 91.68
    vinylene carbonate 113.54
    1,1,2-trichlorotrifluoroethane 112.03
    DMS 106.43
    cumene 59.24
    2-octanol 41.07
    2-hexanone 88.64
    octyl acetate 64.83
    limonene 66.24
    1,2-dimethoxyethane 132.12
    ethyl orthosilicate 51.49
    tributyl phosphate 44.33
    diacetone alcohol 82.28
    N,N-dimethylaniline 87.72
    acrylonitrile 94.01
    aniline 87.88
    1,3-propanediol 45.34
    bromobenzene 140.49
    dibromomethane 127.6
    1,1,2,2-tetrachloroethane 164.81
    2-methyl-cyclohexyl acetate 96.52
    tetrabutyl urea 60.6
    diisobutyl methanol 41.35
    2-phenylethanol 112.59
    styrene 81.84
    dioctyl adipate 66.71
    dimethyl sulfate 71.03
    ethyl butyrate 87.42
    methyl lactate 53.06
    butyl lactate 71.83
    diethyl carbonate 67.58
    propanediol butyl ether 68.34
    triethyl orthoformate 70.31
    p-tert-butyltoluene 62.03
    methyl 4-tert-butylbenzoate 101.74
    morpholine 184.5
    tert-butylamine 44.62
    n-dodecanol 30.52
    dimethoxymethane 127.66
    ethylene carbonate 95.77
    cyrene 94.15
    2-ethoxyethyl acetate 119.75
    2-ethylhexyl acetate 102.65
    1,2,4-trichlorobenzene 133.39
    4-methylpyridine 185.29
    dibutyl ether 55.42
    2,6-dimethyl-4-heptanol 41.35
    DEF 97.69
    dimethyl isosorbide 154.41
    tetrachloroethylene 104.55
    eugenol 92.66
    triacetin 106.31
    span 80 74.44
    1,4-butanediol 24.67
    1,1-dichloroethane 118.79
    2-methyl-1-pentanol 41.09
    methyl formate 49.68
    2-methyl-1-butanol 46.68
    n-decane 13.24
    butyronitrile 85.37
    3,7-dimethyl-1-octanol 51.28
    1-chlorooctane 44.0
    1-chlorotetradecane 20.13
    n-nonane 11.51
    undecane 9.91
    tert-butylcyclohexane 15.78
    cyclooctane 11.5
    cyclopentanol 72.91
    tetrahydropyran 179.69
    tert-amyl methyl ether 63.94
    2,5,8-trioxanonane 110.47
    1-hexene 33.41
    2-isopropoxyethanol 62.1
    2,2,2-trifluoroethanol 25.18
    methyl butyrate 93.26

    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