(-)-Pacifigorgiol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    84014-68-6

    Molecular formula
    C15H26O

    SMILES
    CC1CCC2C(CCC2(C1C=C(C)C)O)C

  • Odor profile

    Fragrance
    Herbal 75.61%
    Spicy 60.34%
    Woody 57.6%
    Mint 55.46%
    Fresh 50.44%
    Earthy 48.22%
    Green 43.86%
    Sweet 43.03%
    Camphoreous 42.35%
    Fruity 42.01%

     

    Flavor
    Herbal 56.64%
    Herb 49.42%
    Minty 48.11%
    Fresh 46.64%
    Green 37.91%
    Woody 36.46%
    Spice 36.13%
    Spicy 35.52%
    Mint 30.83%
    Wood 30.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.62 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    299°C

    Flash point

    • 119.57 ˚C est.

  • Synonyms

    • (-)-Pacifigorgiol
    • Pacifigorgiol
    • QGALFKRHZSPTEG-UHFFFAOYSA-N
    • Q67880199
    • 1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
    • 3aH-Inden-3a-ol, octahydro-1,5-dimethyl-4-(2-methyl-1-propen-1-yl)-, (1R,3aR,4S,5R,7aS)-rel-(+)-
    • 3aH-Inden-3a-ol, octahydro-1,5-dimethyl-4-(2-methyl-1-propenyl)-, (1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.alpha.)-(+)-
    • 3aH-Inden-3a-ol, octahydro-1,5-dimethyl-4-(2-methyl-1-propenyl)-, (1R,3aR,4S,5R,7aS)-rel-(+)-

  • Applications

    (-)-Pacifigorgiol (CAS 84014-68-6) is a marine natural product with a complex molecular framework and is viewed as a potential chiral building block or intermediate for pharmaceutical synthesis; it is studied for biological activity and may serve as a basis for derivative development; it can be used as a reference standard or material for analytical isolation of natural products; it may provide a scaffold for materials and polymer development inspired by marine chemistry; and it may be considered in cosmetics and fragrance research to evaluate potential scent-related properties in formulation studies. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 399.42
    methanol 247.4
    isopropanol 614.61
    water 0.58
    ethyl acetate 414.02
    n-propanol 435.02
    acetone 499.6
    n-butanol 491.87
    acetonitrile 306.84
    DMF 424.65
    toluene 522.56
    isobutanol 423.75
    1,4-dioxane 939.5
    methyl acetate 344.98
    THF 1530.78
    2-butanone 478.82
    n-pentanol 256.05
    sec-butanol 417.82
    n-hexane 114.98
    ethylene glycol 36.34
    NMP 294.45
    cyclohexane 243.31
    DMSO 229.56
    n-butyl acetate 490.27
    n-octanol 330.14
    chloroform 1092.54
    n-propyl acetate 258.19
    acetic acid 156.41
    dichloromethane 651.87
    cyclohexanone 705.1
    propylene glycol 87.13
    isopropyl acetate 404.7
    DMAc 357.62
    2-ethoxyethanol 238.51
    isopentanol 465.01
    n-heptane 115.12
    ethyl formate 223.23
    1,2-dichloroethane 414.2
    n-hexanol 527.57
    2-methoxyethanol 396.87
    isobutyl acetate 269.51
    tetrachloromethane 243.52
    n-pentyl acetate 377.51
    transcutol 803.35
    n-heptanol 310.14
    ethylbenzene 277.23
    MIBK 389.08
    2-propoxyethanol 492.74
    tert-butanol 611.89
    MTBE 680.7
    2-butoxyethanol 360.8
    propionic acid 171.73
    o-xylene 305.89
    formic acid 29.83
    diethyl ether 634.56
    m-xylene 390.03
    p-xylene 341.88
    chlorobenzene 397.54
    dimethyl carbonate 137.84
    n-octane 63.92
    formamide 51.43
    cyclopentanone 719.03
    2-pentanone 475.81
    anisole 351.93
    cyclopentyl methyl ether 591.67
    gamma-butyrolactone 557.79
    1-methoxy-2-propanol 436.44
    pyridine 632.51
    3-pentanone 323.94
    furfural 404.27
    n-dodecane 53.11
    diethylene glycol 255.29
    diisopropyl ether 277.33
    tert-amyl alcohol 388.0
    acetylacetone 425.8
    n-hexadecane 61.89
    acetophenone 293.05
    methyl propionate 275.16
    isopentyl acetate 540.37
    trichloroethylene 697.94
    n-nonanol 283.78
    cyclohexanol 451.84
    benzyl alcohol 247.04
    2-ethylhexanol 320.92
    isooctanol 275.98
    dipropyl ether 363.65
    1,2-dichlorobenzene 325.67
    ethyl lactate 128.85
    propylene carbonate 363.53
    n-methylformamide 147.61
    2-pentanol 382.88
    n-pentane 147.32
    1-propoxy-2-propanol 447.6
    1-methoxy-2-propyl acetate 435.62
    2-(2-methoxypropoxy) propanol 330.09
    mesitylene 277.3
    ε-caprolactone 549.62
    p-cymene 229.52
    epichlorohydrin 631.07
    1,1,1-trichloroethane 558.24
    2-aminoethanol 104.31
    morpholine-4-carbaldehyde 443.2
    sulfolane 445.44
    2,2,4-trimethylpentane 72.17
    2-methyltetrahydrofuran 883.7
    n-hexyl acetate 525.88
    isooctane 80.89
    2-(2-butoxyethoxy)ethanol 419.38
    sec-butyl acetate 244.96
    tert-butyl acetate 425.91
    decalin 104.59
    glycerin 107.91
    diglyme 675.44
    acrylic acid 120.02
    isopropyl myristate 240.23
    n-butyric acid 367.89
    acetyl acetate 255.22
    di(2-ethylhexyl) phthalate 195.36
    ethyl propionate 239.61
    nitromethane 238.66
    1,2-diethoxyethane 452.69
    benzonitrile 375.33
    trioctyl phosphate 168.38
    1-bromopropane 441.41
    gamma-valerolactone 743.93
    n-decanol 211.89
    triethyl phosphate 146.26
    4-methyl-2-pentanol 296.68
    propionitrile 374.17
    vinylene carbonate 320.54
    1,1,2-trichlorotrifluoroethane 319.85
    DMS 266.65
    cumene 216.08
    2-octanol 246.48
    2-hexanone 293.4
    octyl acetate 285.35
    limonene 274.51
    1,2-dimethoxyethane 543.52
    ethyl orthosilicate 152.03
    tributyl phosphate 175.42
    diacetone alcohol 357.05
    N,N-dimethylaniline 239.6
    acrylonitrile 300.72
    aniline 366.66
    1,3-propanediol 238.83
    bromobenzene 462.85
    dibromomethane 529.51
    1,1,2,2-tetrachloroethane 623.65
    2-methyl-cyclohexyl acetate 292.02
    tetrabutyl urea 203.97
    diisobutyl methanol 225.33
    2-phenylethanol 355.94
    styrene 285.22
    dioctyl adipate 252.48
    dimethyl sulfate 151.29
    ethyl butyrate 298.46
    methyl lactate 143.87
    butyl lactate 261.19
    diethyl carbonate 185.56
    propanediol butyl ether 314.11
    triethyl orthoformate 236.99
    p-tert-butyltoluene 236.17
    methyl 4-tert-butylbenzoate 335.31
    morpholine 823.85
    tert-butylamine 472.6
    n-dodecanol 161.65
    dimethoxymethane 450.63
    ethylene carbonate 321.34
    cyrene 229.66
    2-ethoxyethyl acetate 390.23
    2-ethylhexyl acetate 418.11
    1,2,4-trichlorobenzene 355.7
    4-methylpyridine 646.93
    dibutyl ether 360.64
    2,6-dimethyl-4-heptanol 225.33
    DEF 335.03
    dimethyl isosorbide 483.58
    tetrachloroethylene 410.95
    eugenol 290.26
    triacetin 352.27
    span 80 315.47
    1,4-butanediol 87.97
    1,1-dichloroethane 581.75
    2-methyl-1-pentanol 255.83
    methyl formate 128.52
    2-methyl-1-butanol 381.64
    n-decane 91.18
    butyronitrile 494.33
    3,7-dimethyl-1-octanol 313.34
    1-chlorooctane 250.02
    1-chlorotetradecane 106.34
    n-nonane 90.17
    undecane 67.1
    tert-butylcyclohexane 100.55
    cyclooctane 105.17
    cyclopentanol 427.29
    tetrahydropyran 1004.61
    tert-amyl methyl ether 371.19
    2,5,8-trioxanonane 417.13
    1-hexene 266.6
    2-isopropoxyethanol 226.75
    2,2,2-trifluoroethanol 68.45
    methyl butyrate 293.81

    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
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.6%