Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-

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  • Identifiers

    CAS number
    5090-61-9

    Molecular formula
    C15H22

    SMILES
    C[C@@H]1CC=CC2=CC[C@H](C[C@]12C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.87%
    Citrus 51.89%
    Sweet 51.69%
    Spicy 51.52%
    Herbal 50.31%
    Fresh 47.46%
    Terpenic 46.39%
    Green 41.29%
    Oily 38.33%
    Fruity 35.99%

     

    Flavor
    Woody 57.56%
    Herbal 50.44%
    Wood 47.48%
    Spice 41.95%
    Herb 38.22%
    Turpentine 31.13%
    Terpene 30.98%
    Fresh 29.73%
    Camphor 28.5%
    Citrus 26.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.21 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 100.35 ˚C est.

  • Synonyms

    • Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
    • DTXSID801366738
    • 5090-61-9
    • 5090-61-9

  • Applications

    Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)- (CAS 5090-61-9) is used primarily as an intermediate in organic synthesis, serving as a building block for fragrance and flavor chemistry and for the preparation of more complex aroma compounds; in industrial manufacturing it can function as a nonpolar solvent or processing aid; in materials science it may act as a precursor or modifier for specialty polymers and coatings; and in research settings it provides a stereochemically defined scaffold for developing chiral synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.94
    methanol 66.33
    isopropanol 220.23
    water 0.05
    ethyl acetate 501.43
    n-propanol 219.45
    acetone 324.55
    n-butanol 272.18
    acetonitrile 174.63
    DMF 278.25
    toluene 864.03
    isobutanol 176.55
    1,4-dioxane 959.47
    methyl acetate 346.74
    THF 1550.56
    2-butanone 483.19
    n-pentanol 129.16
    sec-butanol 197.75
    n-hexane 99.17
    ethylene glycol 7.69
    NMP 179.41
    cyclohexane 249.67
    DMSO 125.39
    n-butyl acetate 695.15
    n-octanol 159.53
    chloroform 785.88
    n-propyl acetate 244.3
    acetic acid 50.17
    dichloromethane 656.65
    cyclohexanone 563.02
    propylene glycol 23.46
    isopropyl acetate 382.59
    DMAc 273.16
    2-ethoxyethanol 135.84
    isopentanol 252.98
    n-heptane 169.57
    ethyl formate 150.47
    1,2-dichloroethane 441.34
    n-hexanol 394.85
    2-methoxyethanol 213.95
    isobutyl acetate 223.84
    tetrachloromethane 177.18
    n-pentyl acetate 292.37
    transcutol 980.69
    n-heptanol 163.33
    ethylbenzene 310.68
    MIBK 324.71
    2-propoxyethanol 384.3
    tert-butanol 312.2
    MTBE 643.77
    2-butoxyethanol 199.55
    propionic acid 74.7
    o-xylene 355.15
    formic acid 7.47
    diethyl ether 710.21
    m-xylene 509.4
    p-xylene 343.72
    chlorobenzene 401.07
    dimethyl carbonate 120.41
    n-octane 55.02
    formamide 21.73
    cyclopentanone 599.86
    2-pentanone 448.4
    anisole 432.61
    cyclopentyl methyl ether 645.52
    gamma-butyrolactone 391.46
    1-methoxy-2-propanol 238.61
    pyridine 724.47
    3-pentanone 355.19
    furfural 280.65
    n-dodecane 34.72
    diethylene glycol 116.86
    diisopropyl ether 272.25
    tert-amyl alcohol 236.09
    acetylacetone 376.73
    n-hexadecane 42.05
    acetophenone 283.49
    methyl propionate 310.74
    isopentyl acetate 612.0
    trichloroethylene 681.16
    n-nonanol 157.28
    cyclohexanol 248.08
    benzyl alcohol 164.02
    2-ethylhexanol 289.06
    isooctanol 148.42
    dipropyl ether 650.52
    1,2-dichlorobenzene 303.97
    ethyl lactate 72.14
    propylene carbonate 232.06
    n-methylformamide 79.95
    2-pentanol 203.48
    n-pentane 117.83
    1-propoxy-2-propanol 404.81
    1-methoxy-2-propyl acetate 515.76
    2-(2-methoxypropoxy) propanol 268.75
    mesitylene 309.1
    ε-caprolactone 402.79
    p-cymene 267.81
    epichlorohydrin 573.26
    1,1,1-trichloroethane 492.62
    2-aminoethanol 29.21
    morpholine-4-carbaldehyde 336.4
    sulfolane 271.56
    2,2,4-trimethylpentane 58.85
    2-methyltetrahydrofuran 918.92
    n-hexyl acetate 400.65
    isooctane 70.21
    2-(2-butoxyethoxy)ethanol 344.62
    sec-butyl acetate 234.14
    tert-butyl acetate 435.32
    decalin 96.28
    glycerin 28.92
    diglyme 635.96
    acrylic acid 45.07
    isopropyl myristate 205.79
    n-butyric acid 204.96
    acetyl acetate 244.21
    di(2-ethylhexyl) phthalate 150.43
    ethyl propionate 246.69
    nitromethane 115.93
    1,2-diethoxyethane 731.12
    benzonitrile 257.86
    trioctyl phosphate 101.53
    1-bromopropane 508.98
    gamma-valerolactone 524.4
    n-decanol 121.1
    triethyl phosphate 145.0
    4-methyl-2-pentanol 169.45
    propionitrile 281.18
    vinylene carbonate 216.53
    1,1,2-trichlorotrifluoroethane 150.29
    DMS 260.31
    cumene 199.06
    2-octanol 122.15
    2-hexanone 270.18
    octyl acetate 220.47
    limonene 342.32
    1,2-dimethoxyethane 462.77
    ethyl orthosilicate 159.31
    tributyl phosphate 126.23
    diacetone alcohol 267.08
    N,N-dimethylaniline 265.6
    acrylonitrile 198.56
    aniline 368.86
    1,3-propanediol 86.73
    bromobenzene 534.45
    dibromomethane 531.33
    1,1,2,2-tetrachloroethane 492.01
    2-methyl-cyclohexyl acetate 304.54
    tetrabutyl urea 164.64
    diisobutyl methanol 212.5
    2-phenylethanol 296.47
    styrene 339.23
    dioctyl adipate 224.55
    dimethyl sulfate 107.95
    ethyl butyrate 413.61
    methyl lactate 73.65
    butyl lactate 140.82
    diethyl carbonate 231.56
    propanediol butyl ether 140.28
    triethyl orthoformate 275.88
    p-tert-butyltoluene 281.64
    methyl 4-tert-butylbenzoate 275.36
    morpholine 860.77
    tert-butylamine 278.91
    n-dodecanol 96.94
    dimethoxymethane 410.85
    ethylene carbonate 203.5
    cyrene 143.46
    2-ethoxyethyl acetate 373.58
    2-ethylhexyl acetate 513.05
    1,2,4-trichlorobenzene 334.42
    4-methylpyridine 704.31
    dibutyl ether 391.51
    2,6-dimethyl-4-heptanol 212.5
    DEF 321.91
    dimethyl isosorbide 521.58
    tetrachloroethylene 281.74
    eugenol 203.81
    triacetin 274.12
    span 80 216.94
    1,4-butanediol 24.57
    1,1-dichloroethane 497.44
    2-methyl-1-pentanol 145.61
    methyl formate 66.39
    2-methyl-1-butanol 206.84
    n-decane 63.26
    butyronitrile 348.29
    3,7-dimethyl-1-octanol 212.13
    1-chlorooctane 178.45
    1-chlorotetradecane 80.87
    n-nonane 62.38
    undecane 44.82
    tert-butylcyclohexane 94.1
    cyclooctane 110.75
    cyclopentanol 203.22
    tetrahydropyran 1219.77
    tert-amyl methyl ether 370.98
    2,5,8-trioxanonane 440.05
    1-hexene 269.02
    2-isopropoxyethanol 138.9
    2,2,2-trifluoroethanol 19.48
    methyl butyrate 264.59

    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