Isopimara-8,15-diene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6697-24-1

    Molecular formula
    C20H32

    SMILES
    C[C@@]1(CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=C

    Retention indicies (RI)

    • DB5: 1960.0

  • Odor profile

    Woody 85.58%
    Sweet 55.95%
    Dry 48.66%
    Amber 47.31%
    Spicy 36.98%
    Cedar 36.67%
    Green 34.12%
    Balsamic 32.35%
    Musk 30.89%
    Tobacco 29.25%

    Scent© AI

  • Properties

    XLogP3-AA
    6.5

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point est.
    164.65 ˚C

  • Synonyms

    • Isopimara-8,15-diene
    • (2S,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene
    • CHEBI:197884
    • 6697-24-1

  • Applications

    Isopimara-8,15-diene (CAS 6697-24-1) is an isopimarane-type diterpene hydrocarbon from conifer resins used as a GC–MS reference standard and molecular marker to profile conifer resin diterpenes, to support provenance and aging studies of resin-rich varnishes and artifacts, and in geochemistry as a biomarker of conifer input and early diagenesis; it also serves as a substrate/benchmark in enzymology and metabolic engineering of diterpene biosynthesis (leading to isopimaric and related resin acids), a starting point for the semi-synthesis of diterpenoid libraries for biological activity screening, a model compound in aroma research on pine resins and in atmospheric studies of biogenic semi-volatile organic compound oxidation and secondary organic aerosol formation, and is sometimes employed to tune hydrophobicity/properties of resin-based materials; in practice it is valued mainly as a reference or precursor rather than a final-use ingredient, and it should be handled with the usual precautions for volatile, flammable hydrocarbons.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.82
    methanol 27.08
    isopropanol 95.28
    water 0.03
    ethyl acetate 260.47
    n-propanol 113.67
    acetone 178.31
    n-butanol 163.53
    acetonitrile 57.59
    DMF 197.57
    toluene 671.14
    isobutanol 108.63
    1,4-dioxane 485.65
    methyl acetate 133.93
    THF 1080.07
    2-butanone 238.54
    n-pentanol 81.87
    sec-butanol 86.58
    n-hexane 61.18
    ethylene glycol 2.82
    NMP 259.06
    cyclohexane 174.85
    DMSO 54.7
    n-butyl acetate 401.8
    n-octanol 97.29
    chloroform 387.04
    n-propyl acetate 149.91
    acetic acid 32.58
    dichloromethane 310.66
    cyclohexanone 491.94
    propylene glycol 8.95
    isopropyl acetate 288.84
    DMAc 221.82
    2-ethoxyethanol 71.58
    isopentanol 175.43
    n-heptane 100.6
    ethyl formate 68.46
    1,2-dichloroethane 230.42
    n-hexanol 240.93
    2-methoxyethanol 106.86
    isobutyl acetate 173.03
    tetrachloromethane 90.74
    n-pentyl acetate 245.17
    transcutol 614.39
    n-heptanol 121.86
    ethylbenzene 192.64
    MIBK 280.73
    2-propoxyethanol 268.33
    tert-butanol 128.02
    MTBE 333.33
    2-butoxyethanol 162.06
    propionic acid 43.35
    o-xylene 258.4
    formic acid 4.7
    diethyl ether 439.76
    m-xylene 423.94
    p-xylene 223.47
    chlorobenzene 295.54
    dimethyl carbonate 89.24
    n-octane 27.62
    formamide 9.51
    cyclopentanone 473.26
    2-pentanone 325.58
    anisole 263.98
    cyclopentyl methyl ether 608.31
    gamma-butyrolactone 324.02
    1-methoxy-2-propanol 145.56
    pyridine 433.36
    3-pentanone 252.41
    furfural 212.71
    n-dodecane 15.74
    diethylene glycol 65.64
    diisopropyl ether 211.94
    tert-amyl alcohol 101.93
    acetylacetone 280.92
    n-hexadecane 19.41
    acetophenone 196.21
    methyl propionate 197.25
    isopentyl acetate 438.13
    trichloroethylene 378.09
    n-nonanol 102.48
    cyclohexanol 191.18
    benzyl alcohol 111.49
    2-ethylhexanol 205.93
    isooctanol 117.48
    dipropyl ether 442.83
    1,2-dichlorobenzene 235.72
    ethyl lactate 51.64
    propylene carbonate 193.61
    n-methylformamide 42.97
    2-pentanol 132.52
    n-pentane 87.46
    1-propoxy-2-propanol 286.54
    1-methoxy-2-propyl acetate 426.95
    2-(2-methoxypropoxy) propanol 190.24
    mesitylene 255.55
    ε-caprolactone 374.07
    p-cymene 188.2
    epichlorohydrin 360.72
    1,1,1-trichloroethane 262.25
    2-aminoethanol 13.51
    morpholine-4-carbaldehyde 306.92
    sulfolane 224.42
    2,2,4-trimethylpentane 40.79
    2-methyltetrahydrofuran 619.96
    n-hexyl acetate 298.15
    isooctane 47.48
    2-(2-butoxyethoxy)ethanol 240.95
    sec-butyl acetate 166.21
    tert-butyl acetate 348.83
    decalin 65.13
    glycerin 13.55
    diglyme 445.35
    acrylic acid 28.06
    isopropyl myristate 147.36
    n-butyric acid 135.2
    acetyl acetate 156.15
    di(2-ethylhexyl) phthalate 115.76
    ethyl propionate 161.87
    nitromethane 59.48
    1,2-diethoxyethane 411.36
    benzonitrile 164.21
    trioctyl phosphate 86.96
    1-bromopropane 279.9
    gamma-valerolactone 481.67
    n-decanol 74.58
    triethyl phosphate 122.47
    4-methyl-2-pentanol 119.83
    propionitrile 112.25
    vinylene carbonate 159.37
    1,1,2-trichlorotrifluoroethane 115.94
    DMS 192.67
    cumene 128.81
    2-octanol 82.22
    2-hexanone 171.98
    octyl acetate 158.84
    limonene 252.2
    1,2-dimethoxyethane 240.14
    ethyl orthosilicate 138.22
    tributyl phosphate 101.15
    diacetone alcohol 203.27
    N,N-dimethylaniline 193.8
    acrylonitrile 83.36
    aniline 260.89
    1,3-propanediol 45.86
    bromobenzene 389.52
    dibromomethane 259.05
    1,1,2,2-tetrachloroethane 307.52
    2-methyl-cyclohexyl acetate 251.87
    tetrabutyl urea 129.86
    diisobutyl methanol 142.27
    2-phenylethanol 219.46
    styrene 214.75
    dioctyl adipate 171.17
    dimethyl sulfate 87.32
    ethyl butyrate 290.14
    methyl lactate 51.33
    butyl lactate 129.95
    diethyl carbonate 153.58
    propanediol butyl ether 93.91
    triethyl orthoformate 237.31
    p-tert-butyltoluene 202.19
    methyl 4-tert-butylbenzoate 243.9
    morpholine 478.54
    tert-butylamine 132.66
    n-dodecanol 56.63
    dimethoxymethane 314.33
    ethylene carbonate 153.75
    cyrene 137.82
    2-ethoxyethyl acetate 305.08
    2-ethylhexyl acetate 377.64
    1,2,4-trichlorobenzene 264.98
    4-methylpyridine 491.01
    dibutyl ether 223.86
    2,6-dimethyl-4-heptanol 142.27
    DEF 265.41
    dimethyl isosorbide 405.27
    tetrachloroethylene 181.17
    eugenol 168.24
    triacetin 218.42
    span 80 164.75
    1,4-butanediol 11.97
    1,1-dichloroethane 235.17
    2-methyl-1-pentanol 103.6
    methyl formate 34.1
    2-methyl-1-butanol 149.48
    n-decane 33.88
    butyronitrile 160.95
    3,7-dimethyl-1-octanol 131.75
    1-chlorooctane 117.08
    1-chlorotetradecane 46.56
    n-nonane 31.17
    undecane 22.17
    tert-butylcyclohexane 57.76
    cyclooctane 76.52
    cyclopentanol 127.5
    tetrahydropyran 764.57
    tert-amyl methyl ether 240.05
    2,5,8-trioxanonane 283.92
    1-hexene 154.71
    2-isopropoxyethanol 81.28
    2,2,2-trifluoroethanol 13.2
    methyl butyrate 172.11

    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
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 1.36%
Sequoia leaf 1 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.01%
Cypress (Croatia) 2 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.5%