2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl-, (2S,4aR,7R)-

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  • Identifiers

    CAS number
    393517-29-8

    Molecular formula
    C16H26O

    SMILES
    CC1(C[C@H](C=C2[C@@]13CC[C@@H](C3)C2(C)C)OC)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 92.76%
    Amber 66.65%
    Dry 58.64%
    Cedar 56.29%
    Vetiver 46.49%
    Musk 46.41%
    Sandalwood 44.73%
    Spicy 42.7%
    Powdery 38.95%
    Balsamic 35.67%

     

    Flavor
    Woody 71.48%
    Camphor 57.45%
    Pine 53.36%
    Sweet 49.81%
    Herbal 44.5%
    Balsam 43.35%
    Earthy 41.05%
    Dry 36.41%
    Earth 34.31%
    Fresh 31.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.55 (neutral)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    289°C

    Flash point

    • 118.4 ˚C est.

  • Synonyms

    • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl-, (2S,4aR,7R)-
    • 393517-29-8
    • DTXSID60889176
    • RefChem:484197
    • DTXCID101028444
    • SCHEMBL14767798
    • VIHCRGZIINXRHA-MKBNYLNASA-N
    • (2S,4aR,7R)-7-Methoxy-1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene
    • 393517-29-8

  • Applications

    Applications for 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-7-methoxy-1,1,5,5-tetramethyl-, (2S,4aR,7R)- (CAS 393517-29-8) are predominantly in specialty chemical contexts: it may serve as a fragrance ingredient or odorant and a potential fixative in perfumery and cosmetics; act as a chiral building block or intermediate for pharmaceutical and fine chemical synthesis; function as a precursor for specialty polymers and coatings, contributing rigidity and stereochemical control in polymer architectures; be used in research and development for asymmetric synthesis as a chiral auxiliary or ligand; and support industrial manufacturing as a general fine-chemical intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.04
    methanol 111.04
    isopropanol 152.77
    water 3.08
    ethyl acetate 234.99
    n-propanol 153.03
    acetone 264.37
    n-butanol 159.21
    acetonitrile 211.71
    DMF 375.72
    toluene 399.82
    isobutanol 135.89
    1,4-dioxane 452.12
    methyl acetate 223.57
    THF 735.73
    2-butanone 257.77
    n-pentanol 90.2
    sec-butanol 118.47
    n-hexane 22.02
    ethylene glycol 48.51
    NMP 290.01
    cyclohexane 76.77
    DMSO 160.35
    n-butyl acetate 187.82
    n-octanol 104.18
    chloroform 826.5
    n-propyl acetate 135.54
    acetic acid 100.09
    dichloromethane 529.24
    cyclohexanone 433.64
    propylene glycol 65.52
    isopropyl acetate 192.17
    DMAc 273.04
    2-ethoxyethanol 136.49
    isopentanol 134.62
    n-heptane 35.19
    ethyl formate 162.24
    1,2-dichloroethane 297.18
    n-hexanol 158.69
    2-methoxyethanol 256.32
    isobutyl acetate 128.13
    tetrachloromethane 187.43
    n-pentyl acetate 162.44
    transcutol 236.25
    n-heptanol 116.13
    ethylbenzene 181.04
    MIBK 182.37
    2-propoxyethanol 256.22
    tert-butanol 161.93
    MTBE 175.63
    2-butoxyethanol 180.56
    propionic acid 121.48
    o-xylene 240.56
    formic acid 41.87
    diethyl ether 192.99
    m-xylene 297.97
    p-xylene 231.02
    chlorobenzene 334.11
    dimethyl carbonate 150.65
    n-octane 18.97
    formamide 77.48
    cyclopentanone 483.99
    2-pentanone 228.66
    anisole 254.79
    cyclopentyl methyl ether 326.55
    gamma-butyrolactone 441.41
    1-methoxy-2-propanol 248.36
    pyridine 429.17
    3-pentanone 201.81
    furfural 405.32
    n-dodecane 15.05
    diethylene glycol 177.66
    diisopropyl ether 96.34
    tert-amyl alcohol 119.88
    acetylacetone 291.76
    n-hexadecane 18.17
    acetophenone 220.55
    methyl propionate 215.99
    isopentyl acetate 201.46
    trichloroethylene 591.91
    n-nonanol 101.72
    cyclohexanol 198.67
    benzyl alcohol 187.0
    2-ethylhexanol 115.24
    isooctanol 100.29
    dipropyl ether 133.33
    1,2-dichlorobenzene 314.44
    ethyl lactate 102.1
    propylene carbonate 284.38
    n-methylformamide 171.65
    2-pentanol 115.98
    n-pentane 34.86
    1-propoxy-2-propanol 194.23
    1-methoxy-2-propyl acetate 246.56
    2-(2-methoxypropoxy) propanol 142.38
    mesitylene 193.02
    ε-caprolactone 327.89
    p-cymene 133.97
    epichlorohydrin 456.9
    1,1,1-trichloroethane 387.92
    2-aminoethanol 89.43
    morpholine-4-carbaldehyde 386.9
    sulfolane 354.44
    2,2,4-trimethylpentane 23.15
    2-methyltetrahydrofuran 382.43
    n-hexyl acetate 204.44
    isooctane 25.48
    2-(2-butoxyethoxy)ethanol 171.2
    sec-butyl acetate 124.18
    tert-butyl acetate 199.55
    decalin 42.42
    glycerin 94.02
    diglyme 325.54
    acrylic acid 113.27
    isopropyl myristate 96.52
    n-butyric acid 185.9
    acetyl acetate 198.27
    di(2-ethylhexyl) phthalate 95.86
    ethyl propionate 150.15
    nitromethane 234.96
    1,2-diethoxyethane 142.84
    benzonitrile 289.35
    trioctyl phosphate 78.21
    1-bromopropane 212.9
    gamma-valerolactone 551.83
    n-decanol 77.55
    triethyl phosphate 94.75
    4-methyl-2-pentanol 94.8
    propionitrile 223.06
    vinylene carbonate 319.28
    1,1,2-trichlorotrifluoroethane 277.0
    DMS 201.89
    cumene 127.07
    2-octanol 86.82
    2-hexanone 143.44
    octyl acetate 113.63
    limonene 140.23
    1,2-dimethoxyethane 255.48
    ethyl orthosilicate 93.09
    tributyl phosphate 81.11
    diacetone alcohol 189.83
    N,N-dimethylaniline 170.72
    acrylonitrile 262.59
    aniline 283.03
    1,3-propanediol 141.34
    bromobenzene 393.92
    dibromomethane 364.99
    1,1,2,2-tetrachloroethane 466.89
    2-methyl-cyclohexyl acetate 156.08
    tetrabutyl urea 100.65
    diisobutyl methanol 81.97
    2-phenylethanol 217.96
    styrene 191.46
    dioctyl adipate 116.25
    dimethyl sulfate 198.02
    ethyl butyrate 153.43
    methyl lactate 136.91
    butyl lactate 130.62
    diethyl carbonate 117.13
    propanediol butyl ether 138.41
    triethyl orthoformate 124.87
    p-tert-butyltoluene 135.54
    methyl 4-tert-butylbenzoate 204.72
    morpholine 421.14
    tert-butylamine 119.36
    n-dodecanol 60.11
    dimethoxymethane 334.68
    ethylene carbonate 266.8
    cyrene 168.85
    2-ethoxyethyl acetate 209.27
    2-ethylhexyl acetate 172.41
    1,2,4-trichlorobenzene 343.02
    4-methylpyridine 456.6
    dibutyl ether 94.19
    2,6-dimethyl-4-heptanol 81.97
    DEF 215.87
    dimethyl isosorbide 271.45
    tetrachloroethylene 319.83
    eugenol 191.72
    triacetin 186.31
    span 80 134.24
    1,4-butanediol 59.8
    1,1-dichloroethane 346.5
    2-methyl-1-pentanol 86.4
    methyl formate 157.5
    2-methyl-1-butanol 124.53
    n-decane 26.42
    butyronitrile 220.0
    3,7-dimethyl-1-octanol 99.17
    1-chlorooctane 88.14
    1-chlorotetradecane 40.48
    n-nonane 23.84
    undecane 19.44
    tert-butylcyclohexane 38.86
    cyclooctane 38.0
    cyclopentanol 207.45
    tetrahydropyran 416.69
    tert-amyl methyl ether 133.85
    2,5,8-trioxanonane 212.2
    1-hexene 67.82
    2-isopropoxyethanol 114.8
    2,2,2-trifluoroethanol 87.18
    methyl butyrate 171.78

    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