1-[(3aS,4S,5S,7aR)-Octahydro-7a-methyl-5-(1-methylethyl)-1H-inden-4-yl]ethanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    21682-87-1

    Molecular formula
    C15H26O

    SMILES
    CC(C)[C@@H]1CC[C@]2(CCC[C@H]2[C@H]1C(=O)C)C

  • Odor profile

    Woody 84.26%
    Herbal 48.45%
    Floral 42.55%
    Dry 42.1%
    Balsamic 40.57%
    Amber 39.85%
    Cedar 37.49%
    Spicy 36.91%
    Green 36.77%
    Vetiver 36.52%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    287°C

    Flash point est.
    123.53 ˚C

  • Synonyms

    • DTXSID901135601
    • 1-[(3aS,4S,5S,7aR)-Octahydro-7a-methyl-5-(1-methylethyl)-1H-inden-4-yl]ethanone
    • 21682-87-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 489.85
    methanol 387.39
    isopropanol 733.58
    water 1.58
    ethyl acetate 479.62
    n-propanol 569.88
    acetone 608.34
    n-butanol 542.78
    acetonitrile 493.72
    DMF 635.33
    toluene 686.71
    isobutanol 496.49
    1,4-dioxane 1130.62
    methyl acetate 491.75
    THF 1440.58
    2-butanone 659.23
    n-pentanol 254.01
    sec-butanol 461.89
    n-hexane 38.84
    ethylene glycol 94.32
    NMP 403.85
    cyclohexane 145.74
    DMSO 307.06
    n-butyl acetate 459.51
    n-octanol 234.08
    chloroform 1775.38
    n-propyl acetate 271.6
    acetic acid 214.06
    dichloromethane 1152.0
    cyclohexanone 945.88
    propylene glycol 174.7
    isopropyl acetate 398.05
    DMAc 445.99
    2-ethoxyethanol 289.08
    isopentanol 455.93
    n-heptane 47.56
    ethyl formate 381.12
    1,2-dichloroethane 643.18
    n-hexanol 480.03
    2-methoxyethanol 581.22
    isobutyl acetate 255.87
    tetrachloromethane 277.37
    n-pentyl acetate 316.04
    transcutol 667.0
    n-heptanol 237.07
    ethylbenzene 288.93
    MIBK 352.29
    2-propoxyethanol 572.63
    tert-butanol 638.64
    MTBE 482.29
    2-butoxyethanol 337.13
    propionic acid 285.64
    o-xylene 381.66
    formic acid 57.15
    diethyl ether 433.05
    m-xylene 442.63
    p-xylene 382.89
    chlorobenzene 656.24
    dimethyl carbonate 171.11
    n-octane 29.54
    formamide 101.08
    cyclopentanone 972.71
    2-pentanone 497.61
    anisole 422.21
    cyclopentyl methyl ether 506.22
    gamma-butyrolactone 814.95
    1-methoxy-2-propanol 551.44
    pyridine 1003.51
    3-pentanone 352.08
    furfural 707.82
    n-dodecane 28.75
    diethylene glycol 352.25
    diisopropyl ether 169.4
    tert-amyl alcohol 368.69
    acetylacetone 500.33
    n-hexadecane 34.02
    acetophenone 363.32
    methyl propionate 358.87
    isopentyl acetate 473.94
    trichloroethylene 1165.45
    n-nonanol 199.36
    cyclohexanol 524.51
    benzyl alcohol 364.93
    2-ethylhexanol 252.71
    isooctanol 192.29
    dipropyl ether 231.87
    1,2-dichlorobenzene 513.5
    ethyl lactate 165.91
    propylene carbonate 543.69
    n-methylformamide 325.94
    2-pentanol 356.77
    n-pentane 60.82
    1-propoxy-2-propanol 466.03
    1-methoxy-2-propyl acetate 448.75
    2-(2-methoxypropoxy) propanol 302.02
    mesitylene 269.2
    ε-caprolactone 693.8
    p-cymene 216.07
    epichlorohydrin 910.53
    1,1,1-trichloroethane 747.9
    2-aminoethanol 224.01
    morpholine-4-carbaldehyde 591.25
    sulfolane 584.92
    2,2,4-trimethylpentane 34.34
    2-methyltetrahydrofuran 837.18
    n-hexyl acetate 420.56
    isooctane 38.32
    2-(2-butoxyethoxy)ethanol 365.03
    sec-butyl acetate 233.61
    tert-butyl acetate 375.45
    decalin 63.01
    glycerin 186.84
    diglyme 605.08
    acrylic acid 222.04
    isopropyl myristate 185.91
    n-butyric acid 483.38
    acetyl acetate 315.59
    di(2-ethylhexyl) phthalate 191.24
    ethyl propionate 258.05
    nitromethane 401.2
    1,2-diethoxyethane 359.54
    benzonitrile 611.12
    trioctyl phosphate 142.49
    1-bromopropane 505.42
    gamma-valerolactone 1047.5
    n-decanol 153.79
    triethyl phosphate 141.71
    4-methyl-2-pentanol 239.24
    propionitrile 581.58
    vinylene carbonate 558.36
    1,1,2-trichlorotrifluoroethane 454.21
    DMS 305.21
    cumene 210.05
    2-octanol 180.99
    2-hexanone 297.1
    octyl acetate 228.53
    limonene 238.16
    1,2-dimethoxyethane 529.55
    ethyl orthosilicate 135.6
    tributyl phosphate 152.34
    diacetone alcohol 358.23
    N,N-dimethylaniline 262.88
    acrylonitrile 600.33
    aniline 533.62
    1,3-propanediol 375.41
    bromobenzene 717.53
    dibromomethane 818.94
    1,1,2,2-tetrachloroethane 981.21
    2-methyl-cyclohexyl acetate 273.8
    tetrabutyl urea 186.71
    diisobutyl methanol 170.17
    2-phenylethanol 463.03
    styrene 315.75
    dioctyl adipate 222.38
    dimethyl sulfate 203.65
    ethyl butyrate 284.64
    methyl lactate 209.67
    butyl lactate 250.9
    diethyl carbonate 199.75
    propanediol butyl ether 292.94
    triethyl orthoformate 203.67
    p-tert-butyltoluene 210.8
    methyl 4-tert-butylbenzoate 344.93
    morpholine 1058.44
    tert-butylamine 413.04
    n-dodecanol 121.44
    dimethoxymethane 481.47
    ethylene carbonate 504.87
    cyrene 254.65
    2-ethoxyethyl acetate 371.95
    2-ethylhexyl acetate 358.4
    1,2,4-trichlorobenzene 566.93
    4-methylpyridine 971.04
    dibutyl ether 217.53
    2,6-dimethyl-4-heptanol 170.17
    DEF 364.39
    dimethyl isosorbide 489.87
    tetrachloroethylene 575.87
    eugenol 320.55
    triacetin 329.77
    span 80 287.44
    1,4-butanediol 138.74
    1,1-dichloroethane 828.43
    2-methyl-1-pentanol 238.15
    methyl formate 270.37
    2-methyl-1-butanol 383.57
    n-decane 46.17
    butyronitrile 585.63
    3,7-dimethyl-1-octanol 223.84
    1-chlorooctane 169.32
    1-chlorotetradecane 76.03
    n-nonane 42.92
    undecane 35.21
    tert-butylcyclohexane 55.37
    cyclooctane 48.82
    cyclopentanol 519.68
    tetrahydropyran 1037.77
    tert-amyl methyl ether 278.35
    2,5,8-trioxanonane 401.7
    1-hexene 148.53
    2-isopropoxyethanol 249.01
    2,2,2-trifluoroethanol 109.51
    methyl butyrate 330.15

    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

Botanical

Name CAS Botanical Proportion
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 0.05%