(1S,3aR,4R,7S,7aS)-1-Acetyl-7-isopropyl-4-methyloctahydro-1H-inden-4-yl acetate

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  • Identifiers

    Molecular formula
    C17H28O3

    SMILES
    CC(C)C1CCC(C2C1C(CC2)C(=O)C)(C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1881.0

  • Odor profile

    Woody 79.91%
    Herbal 68.61%
    Mint 54.95%
    Floral 52.43%
    Fruity 48.91%
    Camphoreous 45.59%
    Fresh 44.16%
    Pine 43.72%
    Balsamic 42.12%
    Sweet 41.34%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point est.
    149.73 ˚C

  • Synonyms

    • Oplopanonyl acetate
    • DMVJXSFUJUHRRF-UHFFFAOYSA-N
    • (1S,3aR,4R,7S,7aS)-1-Acetyl-7-isopropyl-4-methyloctahydro-1H-inden-4-yl acetate
    • Ethanone, 1-[(1S,3aR,4R,7S,7aS)-4-(acetyloxy)octahydro-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-
    • Ethanone, 1-[4-(acetyloxy)octahydro-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-, [1S-(1.alpha.,3a.beta.,4.beta.,7.alpha.,7a.alpha.)]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.17
    methanol 1115.3
    isopropanol 616.21
    water 7.88
    ethyl acetate 537.3
    n-propanol 457.26
    acetone 724.69
    n-butanol 392.82
    acetonitrile 548.31
    DMF 935.06
    toluene 586.91
    isobutanol 434.36
    1,4-dioxane 1244.69
    methyl acetate 501.75
    THF 1954.71
    2-butanone 511.3
    n-pentanol 210.91
    sec-butanol 371.16
    n-hexane 12.53
    ethylene glycol 130.43
    NMP 828.93
    cyclohexane 48.83
    DMSO 503.3
    n-butyl acetate 300.92
    n-octanol 152.76
    chloroform 1849.91
    n-propyl acetate 246.66
    acetic acid 564.51
    dichloromethane 1416.1
    cyclohexanone 910.77
    propylene glycol 231.06
    isopropyl acetate 400.49
    DMAc 647.32
    2-ethoxyethanol 283.19
    isopentanol 360.0
    n-heptane 9.28
    ethyl formate 374.61
    1,2-dichloroethane 611.39
    n-hexanol 303.81
    2-methoxyethanol 702.59
    isobutyl acetate 222.78
    tetrachloromethane 183.87
    n-pentyl acetate 259.91
    transcutol 842.89
    n-heptanol 151.18
    ethylbenzene 177.84
    MIBK 286.98
    2-propoxyethanol 563.79
    tert-butanol 634.99
    MTBE 343.06
    2-butoxyethanol 290.63
    propionic acid 408.69
    o-xylene 260.55
    formic acid 242.72
    diethyl ether 300.68
    m-xylene 363.79
    p-xylene 258.81
    chlorobenzene 591.18
    dimethyl carbonate 219.23
    n-octane 7.35
    formamide 276.58
    cyclopentanone 1028.31
    2-pentanone 414.07
    anisole 315.56
    cyclopentyl methyl ether 602.53
    gamma-butyrolactone 1238.12
    1-methoxy-2-propanol 605.58
    pyridine 897.66
    3-pentanone 298.57
    furfural 846.57
    n-dodecane 9.0
    diethylene glycol 438.39
    diisopropyl ether 101.13
    tert-amyl alcohol 322.37
    acetylacetone 544.46
    n-hexadecane 10.65
    acetophenone 308.74
    methyl propionate 387.04
    isopentyl acetate 308.44
    trichloroethylene 1295.57
    n-nonanol 131.83
    cyclohexanol 483.37
    benzyl alcohol 343.28
    2-ethylhexanol 135.36
    isooctanol 125.95
    dipropyl ether 109.65
    1,2-dichlorobenzene 417.4
    ethyl lactate 142.84
    propylene carbonate 653.8
    n-methylformamide 518.2
    2-pentanol 257.58
    n-pentane 16.17
    1-propoxy-2-propanol 337.33
    1-methoxy-2-propyl acetate 353.2
    2-(2-methoxypropoxy) propanol 251.55
    mesitylene 173.93
    ε-caprolactone 754.01
    p-cymene 90.06
    epichlorohydrin 1123.22
    1,1,1-trichloroethane 655.21
    2-aminoethanol 265.71
    morpholine-4-carbaldehyde 887.02
    sulfolane 835.62
    2,2,4-trimethylpentane 15.31
    2-methyltetrahydrofuran 946.51
    n-hexyl acetate 360.23
    isooctane 12.94
    2-(2-butoxyethoxy)ethanol 336.05
    sec-butyl acetate 194.39
    tert-butyl acetate 333.28
    decalin 27.31
    glycerin 301.07
    diglyme 538.39
    acrylic acid 347.82
    isopropyl myristate 119.45
    n-butyric acid 560.43
    acetyl acetate 423.68
    di(2-ethylhexyl) phthalate 151.03
    ethyl propionate 209.97
    nitromethane 827.79
    1,2-diethoxyethane 297.02
    benzonitrile 494.11
    trioctyl phosphate 105.97
    1-bromopropane 329.57
    gamma-valerolactone 1299.85
    n-decanol 95.58
    triethyl phosphate 98.01
    4-methyl-2-pentanol 169.91
    propionitrile 426.35
    vinylene carbonate 641.84
    1,1,2-trichlorotrifluoroethane 532.76
    DMS 312.05
    cumene 109.45
    2-octanol 118.99
    2-hexanone 231.96
    octyl acetate 154.33
    limonene 108.49
    1,2-dimethoxyethane 495.01
    ethyl orthosilicate 95.67
    tributyl phosphate 122.51
    diacetone alcohol 353.25
    N,N-dimethylaniline 191.41
    acrylonitrile 529.47
    aniline 549.48
    1,3-propanediol 408.2
    bromobenzene 616.23
    dibromomethane 793.34
    1,1,2,2-tetrachloroethane 946.26
    2-methyl-cyclohexyl acetate 181.42
    tetrabutyl urea 149.32
    diisobutyl methanol 81.54
    2-phenylethanol 361.39
    styrene 215.59
    dioctyl adipate 163.83
    dimethyl sulfate 305.1
    ethyl butyrate 178.06
    methyl lactate 236.48
    butyl lactate 213.31
    diethyl carbonate 136.59
    propanediol butyl ether 289.67
    triethyl orthoformate 134.4
    p-tert-butyltoluene 89.0
    methyl 4-tert-butylbenzoate 252.81
    morpholine 1129.84
    tert-butylamine 293.27
    n-dodecanol 71.84
    dimethoxymethane 632.75
    ethylene carbonate 588.26
    cyrene 267.27
    2-ethoxyethyl acetate 354.05
    2-ethylhexyl acetate 225.85
    1,2,4-trichlorobenzene 486.94
    4-methylpyridine 967.47
    dibutyl ether 123.9
    2,6-dimethyl-4-heptanol 81.54
    DEF 356.64
    dimethyl isosorbide 431.37
    tetrachloroethylene 566.84
    eugenol 251.89
    triacetin 310.58
    span 80 243.57
    1,4-butanediol 158.18
    1,1-dichloroethane 782.66
    2-methyl-1-pentanol 210.46
    methyl formate 471.2
    2-methyl-1-butanol 314.19
    n-decane 15.2
    butyronitrile 421.41
    3,7-dimethyl-1-octanol 146.94
    1-chlorooctane 87.19
    1-chlorotetradecane 34.24
    n-nonane 13.16
    undecane 11.28
    tert-butylcyclohexane 23.24
    cyclooctane 14.35
    cyclopentanol 574.19
    tetrahydropyran 933.86
    tert-amyl methyl ether 197.29
    2,5,8-trioxanonane 369.64
    1-hexene 69.11
    2-isopropoxyethanol 227.14
    2,2,2-trifluoroethanol 244.45
    methyl butyrate 273.32

    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
Port Orford Cedarwood Chamaecyparis lawsoniana (A. Murray) Parl., fam. Cupressaceae 8.7%
Chamaecyparis pisifera Chameacyparis pisifera (Sieb. et Zucc.) Endl. var. filifera, Cupressaceae 4.7%