Squamulosone

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  • Identifiers

    CAS number
    34413-94-0

    Molecular formula
    C15H22O

    SMILES
    C[C@@H]1CCC2=C(C(=O)C[C@@H]3[C@H]([C@H]12)C3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.01%
    Cedar 47.08%
    Amber 43.95%
    Dry 41.41%
    Spicy 40.31%
    Vetiver 32.18%
    Musk 31.39%
    Tobacco 30.22%
    Camphoreous 29.13%
    Balsamic 28.77%

     

    Flavor
    Bitter 46.82%
    Woody 31.96%
    Herbal 31.23%
    Minty 29.22%
    Camphor 26.71%
    Spicy 25.21%
    Cedarleaf 23.17%
    Balsam 22.55%
    Ripe apricot 22.15%
    Pine 22.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.84 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 95.04 ˚C est.

  • Synonyms

    • Squamulosone
    • AC1LCS8N
    • Aromadendr-1(10)-en-9-one
    • 34413-94-0
    • (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
    • SCHEMBL31443058
    • DTXSID90348367
    • (1aR,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1,1a,2,5,6,7,7a,7b-octahydro-3H-cyclopropa[e]azulen-3-one
    • 34413-94-0

  • Applications

    Squamulosone, CAS 34413-94-0, may serve as an organic synthesis intermediate and is being evaluated for potential use in fragrance and cosmetics as a fragrance source or cosmetic base; it is also considered as a structural scaffold for medicinal chemistry research and may appear in the development of pharmaceutical leads; in the plastics and polymer sector it can be assessed as an additive or modifier to tailor material properties; it may also be explored for coatings and inks applications or as a component in cleaning formulations at the research stage; actual use depends on supply, regulatory limits, and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 208.15
    methanol 166.78
    isopropanol 242.99
    water 1.27
    ethyl acetate 252.02
    n-propanol 216.84
    acetone 361.57
    n-butanol 213.35
    acetonitrile 202.37
    DMF 423.56
    toluene 284.54
    isobutanol 185.29
    1,4-dioxane 483.5
    methyl acetate 301.18
    THF 690.02
    2-butanone 380.56
    n-pentanol 122.17
    sec-butanol 168.13
    n-hexane 10.75
    ethylene glycol 68.36
    NMP 277.38
    cyclohexane 27.4
    DMSO 190.0
    n-butyl acetate 195.8
    n-octanol 93.0
    chloroform 739.51
    n-propyl acetate 158.8
    acetic acid 127.61
    dichloromethane 518.72
    cyclohexanone 433.39
    propylene glycol 91.49
    isopropyl acetate 202.01
    DMAc 322.89
    2-ethoxyethanol 188.24
    isopentanol 188.92
    n-heptane 13.27
    ethyl formate 194.99
    1,2-dichloroethane 311.64
    n-hexanol 175.4
    2-methoxyethanol 322.42
    isobutyl acetate 142.38
    tetrachloromethane 107.04
    n-pentyl acetate 161.91
    transcutol 259.25
    n-heptanol 112.66
    ethylbenzene 131.25
    MIBK 206.73
    2-propoxyethanol 315.7
    tert-butanol 227.85
    MTBE 216.62
    2-butoxyethanol 198.53
    propionic acid 153.54
    o-xylene 154.44
    formic acid 44.42
    diethyl ether 196.65
    m-xylene 191.78
    p-xylene 179.59
    chlorobenzene 288.07
    dimethyl carbonate 128.91
    n-octane 10.23
    formamide 88.13
    cyclopentanone 553.36
    2-pentanone 284.83
    anisole 237.48
    cyclopentyl methyl ether 233.47
    gamma-butyrolactone 496.25
    1-methoxy-2-propanol 281.01
    pyridine 479.06
    3-pentanone 214.9
    furfural 413.6
    n-dodecane 10.28
    diethylene glycol 228.31
    diisopropyl ether 73.48
    tert-amyl alcohol 158.47
    acetylacetone 316.34
    n-hexadecane 12.18
    acetophenone 217.55
    methyl propionate 228.96
    isopentyl acetate 213.48
    trichloroethylene 589.44
    n-nonanol 89.66
    cyclohexanol 175.44
    benzyl alcohol 207.63
    2-ethylhexanol 105.16
    isooctanol 100.19
    dipropyl ether 88.32
    1,2-dichlorobenzene 240.81
    ethyl lactate 109.53
    propylene carbonate 291.23
    n-methylformamide 197.72
    2-pentanol 139.76
    n-pentane 16.57
    1-propoxy-2-propanol 207.13
    1-methoxy-2-propyl acetate 248.06
    2-(2-methoxypropoxy) propanol 161.94
    mesitylene 107.19
    ε-caprolactone 327.46
    p-cymene 89.41
    epichlorohydrin 549.94
    1,1,1-trichloroethane 320.79
    2-aminoethanol 121.61
    morpholine-4-carbaldehyde 370.59
    sulfolane 356.95
    2,2,4-trimethylpentane 13.1
    2-methyltetrahydrofuran 382.36
    n-hexyl acetate 203.23
    isooctane 13.56
    2-(2-butoxyethoxy)ethanol 193.12
    sec-butyl acetate 132.65
    tert-butyl acetate 195.56
    decalin 20.15
    glycerin 112.88
    diglyme 330.86
    acrylic acid 137.25
    isopropyl myristate 91.14
    n-butyric acid 223.01
    acetyl acetate 183.26
    di(2-ethylhexyl) phthalate 102.47
    ethyl propionate 149.66
    nitromethane 260.86
    1,2-diethoxyethane 148.05
    benzonitrile 302.84
    trioctyl phosphate 75.67
    1-bromopropane 188.13
    gamma-valerolactone 616.55
    n-decanol 69.72
    triethyl phosphate 82.84
    4-methyl-2-pentanol 110.01
    propionitrile 254.1
    vinylene carbonate 300.58
    1,1,2-trichlorotrifluoroethane 282.17
    DMS 199.3
    cumene 92.94
    2-octanol 85.31
    2-hexanone 178.36
    octyl acetate 111.86
    limonene 93.48
    1,2-dimethoxyethane 303.73
    ethyl orthosilicate 76.72
    tributyl phosphate 75.47
    diacetone alcohol 214.09
    N,N-dimethylaniline 142.18
    acrylonitrile 298.36
    aniline 252.49
    1,3-propanediol 189.49
    bromobenzene 296.73
    dibromomethane 337.0
    1,1,2,2-tetrachloroethane 431.1
    2-methyl-cyclohexyl acetate 147.49
    tetrabutyl urea 99.06
    diisobutyl methanol 75.86
    2-phenylethanol 245.15
    styrene 147.53
    dioctyl adipate 107.65
    dimethyl sulfate 161.32
    ethyl butyrate 136.51
    methyl lactate 138.72
    butyl lactate 129.64
    diethyl carbonate 103.86
    propanediol butyl ether 148.74
    triethyl orthoformate 102.47
    p-tert-butyltoluene 87.13
    methyl 4-tert-butylbenzoate 190.23
    morpholine 436.83
    tert-butylamine 132.18
    n-dodecanol 55.26
    dimethoxymethane 300.79
    ethylene carbonate 250.68
    cyrene 180.25
    2-ethoxyethyl acetate 219.21
    2-ethylhexyl acetate 166.69
    1,2,4-trichlorobenzene 277.31
    4-methylpyridine 481.3
    dibutyl ether 77.37
    2,6-dimethyl-4-heptanol 75.86
    DEF 224.44
    dimethyl isosorbide 257.79
    tetrachloroethylene 279.57
    eugenol 188.91
    triacetin 183.43
    span 80 141.16
    1,4-butanediol 89.28
    1,1-dichloroethane 357.19
    2-methyl-1-pentanol 117.63
    methyl formate 179.21
    2-methyl-1-butanol 162.55
    n-decane 15.59
    butyronitrile 241.15
    3,7-dimethyl-1-octanol 97.9
    1-chlorooctane 64.26
    1-chlorotetradecane 30.47
    n-nonane 13.41
    undecane 12.33
    tert-butylcyclohexane 20.13
    cyclooctane 11.84
    cyclopentanol 199.26
    tetrahydropyran 384.68
    tert-amyl methyl ether 128.67
    2,5,8-trioxanonane 223.17
    1-hexene 50.89
    2-isopropoxyethanol 162.38
    2,2,2-trifluoroethanol 81.57
    methyl butyrate 187.51

    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