Oxidohimachalene

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  • Identifiers

    CAS number
    64825-84-9

    Molecular formula
    C15H22O

    SMILES
    CC1=CC23C(=C(C(O2)CCC3(C)C)C)CC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 73.05%
    Woody 55.47%
    Berry 39.41%
    Floral 38.09%
    Raspberry 32.89%
    Tobacco 30.56%
    Spicy 30.05%
    Black currant 29.88%
    Fresh 28.69%
    Earthy 28.23%

     

    Flavor
    Woody 51.59%
    Earthy 44.15%
    Spicy 42.93%
    Floral 41.34%
    Herbal 40.38%
    Fresh 34.47%
    Wood 33.79%
    Tobacco 29.84%
    Camphor 29.3%
    Musty 28.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.13 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    285°C

    Flash point

    • 146.66 ˚C est.

  • Synonyms

    • Oxidohimachalene
    • oxido-himachalene
    • (+)-Oxidohimachalene
    • SCHEMBL30105605
    • HBZPFOFGXNILSW-UHFFFAOYSA-N
    • DTXSID701027963
    • Q67880043
    • (4aS)-3,5,5,9-Tetramethyl-1,2,5,6,7,8-hexahydro-4a,8-epoxybenzo[7]annulene
    • 4a,8-Epoxy-4aH-benzocycloheptene, 1,2,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (4aS)-
    • 64825-84-9
    • 64825-84-9

  • Applications

    Oxidohimachalene (CAS 64825-84-9) is primarily considered for fragrance-oriented applications: as an odorant and fragrance ingredient in perfumery and cosmetics; it may be evaluated for use as a scent component in household products such as air fresheners and cleaners; in industrial manufacturing, it can serve as an intermediate in the synthesis of specialty chemicals; and it may be explored as a fragrance additive in coatings and inks to impart aroma, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.56
    methanol 51.18
    isopropanol 69.7
    water 0.65
    ethyl acetate 223.99
    n-propanol 84.02
    acetone 216.55
    n-butanol 92.79
    acetonitrile 115.52
    DMF 354.3
    toluene 426.67
    isobutanol 87.25
    1,4-dioxane 365.57
    methyl acetate 243.5
    THF 464.5
    2-butanone 276.68
    n-pentanol 81.78
    sec-butanol 84.1
    n-hexane 32.98
    ethylene glycol 25.63
    NMP 469.98
    cyclohexane 68.22
    DMSO 152.43
    n-butyl acetate 268.71
    n-octanol 133.1
    chloroform 755.12
    n-propyl acetate 209.33
    acetic acid 85.7
    dichloromethane 609.79
    cyclohexanone 510.47
    propylene glycol 34.75
    isopropyl acetate 196.81
    DMAc 382.16
    2-ethoxyethanol 130.23
    isopentanol 101.72
    n-heptane 46.51
    ethyl formate 159.86
    1,2-dichloroethane 338.55
    n-hexanol 150.21
    2-methoxyethanol 152.9
    isobutyl acetate 198.74
    tetrachloromethane 189.85
    n-pentyl acetate 277.71
    transcutol 265.69
    n-heptanol 131.37
    ethylbenzene 262.81
    MIBK 196.29
    2-propoxyethanol 227.89
    tert-butanol 86.61
    MTBE 139.81
    2-butoxyethanol 188.11
    propionic acid 125.49
    o-xylene 308.96
    formic acid 23.4
    diethyl ether 146.06
    m-xylene 352.15
    p-xylene 345.72
    chlorobenzene 432.21
    dimethyl carbonate 162.63
    n-octane 34.27
    formamide 45.74
    cyclopentanone 561.99
    2-pentanone 226.37
    anisole 324.61
    cyclopentyl methyl ether 288.25
    gamma-butyrolactone 528.33
    1-methoxy-2-propanol 142.68
    pyridine 465.98
    3-pentanone 231.98
    furfural 506.19
    n-dodecane 34.05
    diethylene glycol 147.0
    diisopropyl ether 94.74
    tert-amyl alcohol 96.72
    acetylacetone 298.43
    n-hexadecane 40.53
    acetophenone 353.65
    methyl propionate 227.9
    isopentyl acetate 286.38
    trichloroethylene 736.02
    n-nonanol 126.12
    cyclohexanol 157.25
    benzyl alcohol 226.58
    2-ethylhexanol 147.13
    isooctanol 122.33
    dipropyl ether 149.38
    1,2-dichlorobenzene 460.38
    ethyl lactate 126.4
    propylene carbonate 348.0
    n-methylformamide 137.63
    2-pentanol 81.37
    n-pentane 33.59
    1-propoxy-2-propanol 177.55
    1-methoxy-2-propyl acetate 296.33
    2-(2-methoxypropoxy) propanol 198.34
    mesitylene 253.83
    ε-caprolactone 440.27
    p-cymene 210.05
    epichlorohydrin 473.51
    1,1,1-trichloroethane 430.89
    2-aminoethanol 45.32
    morpholine-4-carbaldehyde 486.77
    sulfolane 479.94
    2,2,4-trimethylpentane 30.03
    2-methyltetrahydrofuran 338.23
    n-hexyl acetate 331.69
    isooctane 29.75
    2-(2-butoxyethoxy)ethanol 202.84
    sec-butyl acetate 185.41
    tert-butyl acetate 209.29
    decalin 65.97
    glycerin 51.74
    diglyme 387.3
    acrylic acid 122.99
    isopropyl myristate 174.96
    n-butyric acid 158.47
    acetyl acetate 209.57
    di(2-ethylhexyl) phthalate 171.69
    ethyl propionate 209.67
    nitromethane 204.98
    1,2-diethoxyethane 187.8
    benzonitrile 380.68
    trioctyl phosphate 132.2
    1-bromopropane 217.39
    gamma-valerolactone 619.13
    n-decanol 100.7
    triethyl phosphate 153.33
    4-methyl-2-pentanol 77.56
    propionitrile 151.93
    vinylene carbonate 389.63
    1,1,2-trichlorotrifluoroethane 283.19
    DMS 338.0
    cumene 205.2
    2-octanol 115.7
    2-hexanone 212.79
    octyl acetate 205.31
    limonene 218.31
    1,2-dimethoxyethane 255.98
    ethyl orthosilicate 141.83
    tributyl phosphate 144.68
    diacetone alcohol 174.04
    N,N-dimethylaniline 251.8
    acrylonitrile 198.01
    aniline 252.54
    1,3-propanediol 70.26
    bromobenzene 534.28
    dibromomethane 411.67
    1,1,2,2-tetrachloroethane 535.38
    2-methyl-cyclohexyl acetate 252.99
    tetrabutyl urea 190.94
    diisobutyl methanol 101.18
    2-phenylethanol 277.52
    styrene 281.66
    dioctyl adipate 223.23
    dimethyl sulfate 228.91
    ethyl butyrate 226.65
    methyl lactate 120.32
    butyl lactate 182.21
    diethyl carbonate 178.41
    propanediol butyl ether 144.47
    triethyl orthoformate 180.9
    p-tert-butyltoluene 195.24
    methyl 4-tert-butylbenzoate 322.39
    morpholine 298.34
    tert-butylamine 68.38
    n-dodecanol 83.79
    dimethoxymethane 250.33
    ethylene carbonate 314.03
    cyrene 242.62
    2-ethoxyethyl acetate 303.21
    2-ethylhexyl acetate 276.45
    1,2,4-trichlorobenzene 511.11
    4-methylpyridine 528.62
    dibutyl ether 149.28
    2,6-dimethyl-4-heptanol 101.18
    DEF 269.54
    dimethyl isosorbide 394.06
    tetrachloroethylene 395.45
    eugenol 279.72
    triacetin 320.35
    span 80 189.18
    1,4-butanediol 50.36
    1,1-dichloroethane 341.72
    2-methyl-1-pentanol 98.6
    methyl formate 153.35
    2-methyl-1-butanol 101.01
    n-decane 50.8
    butyronitrile 152.93
    3,7-dimethyl-1-octanol 132.83
    1-chlorooctane 142.66
    1-chlorotetradecane 76.04
    n-nonane 46.63
    undecane 40.05
    tert-butylcyclohexane 58.56
    cyclooctane 46.52
    cyclopentanol 156.77
    tetrahydropyran 304.0
    tert-amyl methyl ether 140.23
    2,5,8-trioxanonane 280.57
    1-hexene 86.92
    2-isopropoxyethanol 126.47
    2,2,2-trifluoroethanol 66.65
    methyl butyrate 242.41

    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