2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 8-acetate, (2S,4aR)-

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  • Identifiers

    CAS number
    61826-56-0

    Molecular formula
    C18H28O2

    SMILES
    CC(=O)OCC1=C2C([C@H]3CCC2(C3)C(CC1)(C)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 92.25%
    Amber 61.79%
    Cedar 54.55%
    Dry 54.41%
    Vetiver 48.87%
    Musk 46.91%
    Powdery 45.26%
    Sandalwood 39.22%
    Orris 39.04%
    Balsamic 38.2%

     

    Flavor
    Woody 67.62%
    Sweet 59.22%
    Pine 51.3%
    Camphor 50.97%
    Herbal 43.37%
    Balsam 42.23%
    Dry 36.5%
    Fresh 31.17%
    Citrus 30.43%
    Wood 27.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.43 (weak base)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 151.86 ˚C est.

  • Synonyms

    • EINECS 263-253-8
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, acetate, (2S)-
    • 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 8-acetate, (2S,4aR)-
    • RefChem:484203
    • 61826-56-0
    • WKKCENUZQQZVOF-PIVQAISJSA-N
    • (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-methyl acetate
    • NS00012554
    • 61826-56-0

  • Applications

    2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 8-acetate, (2S,4aR)- (CAS 61826-56-0) is a bulky, chiral bicyclic ester; in real-world applications it may be used as a fragrance ingredient and fixative in perfumery and cosmetics; it may serve as a flavor/aroma ingredient in food processing where permitted by regulations; it can act as a starting material in pharmaceutical synthesis and for complex organic compounds in industrial manufacturing; and it is considered an intermediate for the synthesis of other industrial products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.2
    methanol 209.21
    isopropanol 232.29
    water 1.95
    ethyl acetate 634.05
    n-propanol 247.5
    acetone 719.11
    n-butanol 236.13
    acetonitrile 441.47
    DMF 1452.18
    toluene 660.18
    isobutanol 209.93
    1,4-dioxane 933.38
    methyl acetate 527.62
    THF 1896.37
    2-butanone 595.88
    n-pentanol 101.5
    sec-butanol 175.23
    n-hexane 16.49
    ethylene glycol 80.58
    NMP 925.7
    cyclohexane 49.54
    DMSO 558.33
    n-butyl acetate 284.96
    n-octanol 66.29
    chloroform 1662.32
    n-propyl acetate 250.28
    acetic acid 306.87
    dichloromethane 1144.02
    cyclohexanone 836.34
    propylene glycol 96.41
    isopropyl acetate 511.55
    DMAc 944.0
    2-ethoxyethanol 224.07
    isopentanol 223.85
    n-heptane 9.4
    ethyl formate 272.02
    1,2-dichloroethane 840.56
    n-hexanol 157.4
    2-methoxyethanol 569.2
    isobutyl acetate 204.06
    tetrachloromethane 240.79
    n-pentyl acetate 215.26
    transcutol 590.53
    n-heptanol 85.71
    ethylbenzene 196.05
    MIBK 402.5
    2-propoxyethanol 438.75
    tert-butanol 283.15
    MTBE 381.48
    2-butoxyethanol 240.46
    propionic acid 255.14
    o-xylene 279.92
    formic acid 141.59
    diethyl ether 426.97
    m-xylene 409.27
    p-xylene 228.37
    chlorobenzene 630.46
    dimethyl carbonate 468.89
    n-octane 4.46
    formamide 279.11
    cyclopentanone 1231.36
    2-pentanone 558.41
    anisole 436.56
    cyclopentyl methyl ether 786.8
    gamma-butyrolactone 1257.6
    1-methoxy-2-propanol 557.08
    pyridine 924.75
    3-pentanone 481.58
    furfural 952.92
    n-dodecane 3.49
    diethylene glycol 307.4
    diisopropyl ether 154.17
    tert-amyl alcohol 192.28
    acetylacetone 843.64
    n-hexadecane 4.4
    acetophenone 355.72
    methyl propionate 602.86
    isopentyl acetate 309.06
    trichloroethylene 1787.52
    n-nonanol 66.66
    cyclohexanol 281.61
    benzyl alcohol 260.0
    2-ethylhexanol 91.4
    isooctanol 74.11
    dipropyl ether 134.32
    1,2-dichlorobenzene 521.27
    ethyl lactate 140.23
    propylene carbonate 627.7
    n-methylformamide 562.94
    2-pentanol 165.33
    n-pentane 22.12
    1-propoxy-2-propanol 269.48
    1-methoxy-2-propyl acetate 506.86
    2-(2-methoxypropoxy) propanol 195.75
    mesitylene 208.83
    ε-caprolactone 692.85
    p-cymene 86.95
    epichlorohydrin 1552.74
    1,1,1-trichloroethane 915.24
    2-aminoethanol 144.72
    morpholine-4-carbaldehyde 1008.24
    sulfolane 1123.45
    2,2,4-trimethylpentane 15.25
    2-methyltetrahydrofuran 931.55
    n-hexyl acetate 266.07
    isooctane 13.96
    2-(2-butoxyethoxy)ethanol 254.39
    sec-butyl acetate 224.59
    tert-butyl acetate 548.42
    decalin 26.02
    glycerin 187.4
    diglyme 592.36
    acrylic acid 265.64
    isopropyl myristate 89.63
    n-butyric acid 402.89
    acetyl acetate 535.26
    di(2-ethylhexyl) phthalate 106.7
    ethyl propionate 302.53
    nitromethane 912.05
    1,2-diethoxyethane 241.28
    benzonitrile 395.41
    trioctyl phosphate 73.22
    1-bromopropane 389.16
    gamma-valerolactone 1449.97
    n-decanol 45.31
    triethyl phosphate 126.7
    4-methyl-2-pentanol 127.6
    propionitrile 427.01
    vinylene carbonate 597.79
    1,1,2-trichlorotrifluoroethane 778.96
    DMS 412.97
    cumene 112.91
    2-octanol 54.44
    2-hexanone 214.1
    octyl acetate 114.36
    limonene 105.3
    1,2-dimethoxyethane 496.85
    ethyl orthosilicate 116.03
    tributyl phosphate 88.95
    diacetone alcohol 429.12
    N,N-dimethylaniline 243.92
    acrylonitrile 566.89
    aniline 574.02
    1,3-propanediol 256.01
    bromobenzene 682.92
    dibromomethane 714.98
    1,1,2,2-tetrachloroethane 1264.69
    2-methyl-cyclohexyl acetate 183.32
    tetrabutyl urea 106.6
    diisobutyl methanol 65.12
    2-phenylethanol 272.95
    styrene 247.84
    dioctyl adipate 126.32
    dimethyl sulfate 680.99
    ethyl butyrate 200.85
    methyl lactate 295.65
    butyl lactate 171.08
    diethyl carbonate 163.66
    propanediol butyl ether 170.47
    triethyl orthoformate 159.86
    p-tert-butyltoluene 93.28
    methyl 4-tert-butylbenzoate 294.77
    morpholine 1018.91
    tert-butylamine 166.25
    n-dodecanol 31.21
    dimethoxymethane 995.85
    ethylene carbonate 535.49
    cyrene 251.06
    2-ethoxyethyl acetate 374.96
    2-ethylhexyl acetate 231.01
    1,2,4-trichlorobenzene 620.19
    4-methylpyridine 980.93
    dibutyl ether 87.68
    2,6-dimethyl-4-heptanol 65.12
    DEF 583.31
    dimethyl isosorbide 415.57
    tetrachloroethylene 715.13
    eugenol 252.41
    triacetin 298.79
    span 80 166.52
    1,4-butanediol 71.35
    1,1-dichloroethane 866.75
    2-methyl-1-pentanol 105.07
    methyl formate 447.78
    2-methyl-1-butanol 199.93
    n-decane 6.84
    butyronitrile 348.78
    3,7-dimethyl-1-octanol 80.17
    1-chlorooctane 53.23
    1-chlorotetradecane 17.89
    n-nonane 5.86
    undecane 4.72
    tert-butylcyclohexane 21.05
    cyclooctane 17.73
    cyclopentanol 336.66
    tetrahydropyran 848.87
    tert-amyl methyl ether 272.87
    2,5,8-trioxanonane 309.29
    1-hexene 70.79
    2-isopropoxyethanol 169.67
    2,2,2-trifluoroethanol 266.66
    methyl butyrate 322.77

    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