Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-, 1-acetate

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  • Identifiers

    CAS number
    27530-63-8

    Molecular formula
    C18H28O2

    SMILES
    CC(=O)OCC=C1[C@H]2CC[C@@H]3[C@H]2C(CCC[C@@]31C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 90.78%
    Amber 52.99%
    Fruity 51.36%
    Cedar 48.73%
    Floral 48.36%
    Dry 45.32%
    Powdery 43.85%
    Sandalwood 42.66%
    Vetiver 41.18%
    Violet 40.73%

     

    Flavor
    Sweet 64.27%
    Woody 56.84%
    Balsam 43.5%
    Pine 36.11%
    Herbal 35.91%
    Rose 31.65%
    Camphor 30.56%
    Balsamic 30.22%
    Wood 29.7%
    Dry 29.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.25 (weak base)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 141.88 ˚C est.

  • Synonyms

    • DTXSID20885391
    • Ethanol, 2-((1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-, 1-acetate
    • Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-, 1-acetate
    • RefChem:592265
    • DTXCID801024774
    • 27530-63-8
    • Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-, acetate
    • GKYMEBBVOZBYSE-NYCLONFESA-N
    • 2-[(1S,3aR,4S,8aR)-4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-ylidene]ethyl acetate
    • 27530-63-8

  • Applications

    Chemical name: Ethanol, 2-[(1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene]-, 1-acetate; CAS number: 27530-63-8 is used primarily in perfumery as a fragrance ingredient and fixative, and is also employed in cosmetics/personal care formulations as a scent component. It may be used as a fragrance additive in household cleaning products and in coatings/inks to impart aroma, and is sometimes evaluated for use as an odorant in industrial manufacturing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 479.56
    methanol 454.18
    isopropanol 456.68
    water 2.32
    ethyl acetate 1087.53
    n-propanol 609.21
    acetone 1190.46
    n-butanol 528.47
    acetonitrile 783.86
    DMF 1720.88
    toluene 1409.32
    isobutanol 467.65
    1,4-dioxane 1686.92
    methyl acetate 818.96
    THF 2835.99
    2-butanone 1033.95
    n-pentanol 204.89
    sec-butanol 372.03
    n-hexane 37.05
    ethylene glycol 132.82
    NMP 1231.67
    cyclohexane 148.78
    DMSO 917.55
    n-butyl acetate 456.95
    n-octanol 91.06
    chloroform 3153.87
    n-propyl acetate 355.44
    acetic acid 513.93
    dichloromethane 2291.18
    cyclohexanone 1392.6
    propylene glycol 171.07
    isopropyl acetate 792.35
    DMAc 1129.71
    2-ethoxyethanol 389.27
    isopentanol 466.57
    n-heptane 18.47
    ethyl formate 439.88
    1,2-dichloroethane 1533.88
    n-hexanol 296.1
    2-methoxyethanol 962.59
    isobutyl acetate 281.53
    tetrachloromethane 417.61
    n-pentyl acetate 293.71
    transcutol 1487.9
    n-heptanol 128.56
    ethylbenzene 291.11
    MIBK 602.09
    2-propoxyethanol 686.13
    tert-butanol 490.17
    MTBE 757.56
    2-butoxyethanol 344.91
    propionic acid 448.08
    o-xylene 495.28
    formic acid 248.89
    diethyl ether 969.94
    m-xylene 688.92
    p-xylene 312.33
    chlorobenzene 1118.16
    dimethyl carbonate 630.71
    n-octane 6.06
    formamide 458.93
    cyclopentanone 1782.47
    2-pentanone 977.93
    anisole 645.43
    cyclopentyl methyl ether 1289.74
    gamma-butyrolactone 1695.46
    1-methoxy-2-propanol 837.2
    pyridine 1690.8
    3-pentanone 821.36
    furfural 1234.3
    n-dodecane 4.67
    diethylene glycol 481.85
    diisopropyl ether 278.33
    tert-amyl alcohol 354.96
    acetylacetone 1144.52
    n-hexadecane 5.89
    acetophenone 465.53
    methyl propionate 947.41
    isopentyl acetate 468.04
    trichloroethylene 2811.82
    n-nonanol 89.58
    cyclohexanol 616.67
    benzyl alcohol 388.37
    2-ethylhexanol 150.34
    isooctanol 109.52
    dipropyl ether 231.02
    1,2-dichlorobenzene 809.55
    ethyl lactate 191.49
    propylene carbonate 808.29
    n-methylformamide 897.99
    2-pentanol 327.79
    n-pentane 58.3
    1-propoxy-2-propanol 411.61
    1-methoxy-2-propyl acetate 745.21
    2-(2-methoxypropoxy) propanol 286.82
    mesitylene 341.35
    ε-caprolactone 1106.75
    p-cymene 132.28
    epichlorohydrin 2228.81
    1,1,1-trichloroethane 1460.3
    2-aminoethanol 285.34
    morpholine-4-carbaldehyde 1331.65
    sulfolane 1417.36
    2,2,4-trimethylpentane 29.25
    2-methyltetrahydrofuran 1626.66
    n-hexyl acetate 368.27
    isooctane 26.31
    2-(2-butoxyethoxy)ethanol 426.67
    sec-butyl acetate 330.49
    tert-butyl acetate 748.56
    decalin 46.82
    glycerin 306.61
    diglyme 951.14
    acrylic acid 425.47
    isopropyl myristate 112.66
    n-butyric acid 698.95
    acetyl acetate 729.45
    di(2-ethylhexyl) phthalate 138.89
    ethyl propionate 406.35
    nitromethane 1213.63
    1,2-diethoxyethane 457.57
    benzonitrile 620.97
    trioctyl phosphate 90.66
    1-bromopropane 915.67
    gamma-valerolactone 2014.14
    n-decanol 61.11
    triethyl phosphate 157.7
    4-methyl-2-pentanol 216.87
    propionitrile 747.21
    vinylene carbonate 794.93
    1,1,2-trichlorotrifluoroethane 1100.02
    DMS 507.35
    cumene 165.07
    2-octanol 72.84
    2-hexanone 320.07
    octyl acetate 145.76
    limonene 173.99
    1,2-dimethoxyethane 744.1
    ethyl orthosilicate 154.89
    tributyl phosphate 115.34
    diacetone alcohol 571.53
    N,N-dimethylaniline 332.29
    acrylonitrile 876.48
    aniline 1156.8
    1,3-propanediol 446.72
    bromobenzene 1242.56
    dibromomethane 1525.94
    1,1,2,2-tetrachloroethane 2034.26
    2-methyl-cyclohexyl acetate 258.64
    tetrabutyl urea 135.35
    diisobutyl methanol 100.11
    2-phenylethanol 396.65
    styrene 410.95
    dioctyl adipate 165.79
    dimethyl sulfate 802.74
    ethyl butyrate 292.99
    methyl lactate 399.83
    butyl lactate 229.67
    diethyl carbonate 219.83
    propanediol butyl ether 260.15
    triethyl orthoformate 233.01
    p-tert-butyltoluene 137.15
    methyl 4-tert-butylbenzoate 339.32
    morpholine 1977.59
    tert-butylamine 330.65
    n-dodecanol 42.58
    dimethoxymethane 1471.64
    ethylene carbonate 739.42
    cyrene 309.81
    2-ethoxyethyl acetate 564.48
    2-ethylhexyl acetate 352.16
    1,2,4-trichlorobenzene 991.19
    4-methylpyridine 1649.4
    dibutyl ether 133.14
    2,6-dimethyl-4-heptanol 100.11
    DEF 893.96
    dimethyl isosorbide 534.83
    tetrachloroethylene 1168.71
    eugenol 308.52
    triacetin 384.51
    span 80 238.95
    1,4-butanediol 121.79
    1,1-dichloroethane 1524.58
    2-methyl-1-pentanol 210.25
    methyl formate 616.02
    2-methyl-1-butanol 436.01
    n-decane 9.16
    butyronitrile 621.67
    3,7-dimethyl-1-octanol 117.18
    1-chlorooctane 70.11
    1-chlorotetradecane 23.94
    n-nonane 8.18
    undecane 6.27
    tert-butylcyclohexane 34.51
    cyclooctane 42.31
    cyclopentanol 599.27
    tetrahydropyran 1946.69
    tert-amyl methyl ether 462.74
    2,5,8-trioxanonane 490.92
    1-hexene 143.78
    2-isopropoxyethanol 283.17
    2,2,2-trifluoroethanol 347.15
    methyl butyrate 440.58

    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