Viridiflorene

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  • Identifiers

    CAS number
    21747-46-6

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CCC2=C(CC[C@@H]3[C@H]([C@H]12)C3(C)C)C

    Retention indicies (RI)

    • DB5: 1373.0

  • Odor profile

    Woody 85.97%
    Spicy 50.67%
    Sweet 45.52%
    Dry 45.35%
    Amber 42.24%
    Balsamic 40.83%
    Herbal 40.19%
    Sandalwood 38.97%
    Cedar 37.62%
    Vetiver 34.3%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    285°C

    Flash point est.
    73.1 ˚C

  • Synonyms

    • (+)-Ledene
    • Viridiflorene
    • Ledene
    • 21747-46-6
    • Leden
    • (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene
    • 236ZZ41F70
    • (1S,2R,4R,11R)-3,3,7,11-Tetramethyltricyclo[6.3.0.02.4]undec-7-ene
    • (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
    • 1H-Cycloprop(e)azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (+)-
    • (+)-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene; Leden; Viridiflorene
    • EINECS 244-565-3
    • MFCD00042613
    • LEDENE, (+)-
    • UNII-236ZZ41F70
    • CHEBI:63444
    • DTXSID60944355
    • 1H-CYCLOPROP(E)AZULENE, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-, (1AR-(1A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.))-
    • AKOS017343166
    • HY-121472
    • CS-0082153
    • C20162
    • (+)-Ledene, >=95.0% (sum of enantiomers, GC)
    • Q27132626
    • 1,1,4,7-tetramethyl-1alpha,2,3,5,6,7,7alpha,7b-octahydro-1H-cyclopropa[e]azulene
    • (1AR-(1A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.))-1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-1H-CYCLOPROP(E)AZULENE
    • (1AR-(1aalpha,7alpha,7abeta,7balpha))-1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene
    • 1H-CYCLOPROP(E)AZULENE, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-, (1AR,7R,7AS,7BR)-

  • Applications

    Viridiflorene (CAS 21747-46-6) is a sesquiterpene hydrocarbon occurring in plant essential oils; in practice it is used chiefly as a reference/standard in GC-MS/GC-FID for qualitative and quantitative analysis and quality control of essential oils, flavors, and herbal materials; as a fragrance contributor imparting woody, resinous, green nuances in perfumery, cosmetics, and personal care; as a model compound for biological and chemical research (terpene biosynthesis, metabolism, chemical ecology) and for optimizing extraction and purification processes; it is also investigated for antimicrobial, antioxidant, and insect-repellent properties to guide potential uses in preservation, agriculture, and bio-based materials; and serves as a chemical marker for chemotaxonomy, provenance tracing, assessment of geographic/seasonal variability, and as a volatility/odor marker in sensory and aroma dispersion studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.4
    methanol 78.56
    isopropanol 212.04
    water 0.21
    ethyl acetate 365.72
    n-propanol 208.36
    acetone 429.09
    n-butanol 237.26
    acetonitrile 197.26
    DMF 339.96
    toluene 513.87
    isobutanol 199.87
    1,4-dioxane 768.78
    methyl acetate 318.44
    THF 1388.71
    2-butanone 439.01
    n-pentanol 143.89
    sec-butanol 190.06
    n-hexane 82.12
    ethylene glycol 26.58
    NMP 312.1
    cyclohexane 196.3
    DMSO 189.97
    n-butyl acetate 457.78
    n-octanol 187.85
    chloroform 724.0
    n-propyl acetate 253.71
    acetic acid 87.07
    dichloromethane 582.67
    cyclohexanone 667.13
    propylene glycol 51.74
    isopropyl acetate 359.57
    DMAc 292.29
    2-ethoxyethanol 176.24
    isopentanol 228.46
    n-heptane 127.46
    ethyl formate 189.8
    1,2-dichloroethane 424.85
    n-hexanol 318.11
    2-methoxyethanol 238.16
    isobutyl acetate 258.52
    tetrachloromethane 185.34
    n-pentyl acetate 289.71
    transcutol 426.39
    n-heptanol 182.18
    ethylbenzene 248.67
    MIBK 355.14
    2-propoxyethanol 392.85
    tert-butanol 258.78
    MTBE 454.56
    2-butoxyethanol 251.46
    propionic acid 126.24
    o-xylene 282.83
    formic acid 14.52
    diethyl ether 436.53
    m-xylene 354.32
    p-xylene 310.75
    chlorobenzene 405.06
    dimethyl carbonate 150.68
    n-octane 59.89
    formamide 30.52
    cyclopentanone 809.54
    2-pentanone 421.27
    anisole 352.22
    cyclopentyl methyl ether 584.22
    gamma-butyrolactone 630.91
    1-methoxy-2-propanol 252.98
    pyridine 587.77
    3-pentanone 335.92
    furfural 396.61
    n-dodecane 48.12
    diethylene glycol 190.06
    diisopropyl ether 218.38
    tert-amyl alcohol 200.93
    acetylacetone 467.27
    n-hexadecane 57.12
    acetophenone 289.69
    methyl propionate 283.69
    isopentyl acetate 500.63
    trichloroethylene 627.51
    n-nonanol 177.63
    cyclohexanol 274.57
    benzyl alcohol 213.45
    2-ethylhexanol 238.01
    isooctanol 162.65
    dipropyl ether 370.18
    1,2-dichlorobenzene 344.05
    ethyl lactate 119.9
    propylene carbonate 353.14
    n-methylformamide 121.02
    2-pentanol 183.5
    n-pentane 97.66
    1-propoxy-2-propanol 334.15
    1-methoxy-2-propyl acetate 460.15
    2-(2-methoxypropoxy) propanol 229.92
    mesitylene 251.73
    ε-caprolactone 492.54
    p-cymene 227.24
    epichlorohydrin 659.24
    1,1,1-trichloroethane 483.87
    2-aminoethanol 62.29
    morpholine-4-carbaldehyde 418.83
    sulfolane 493.02
    2,2,4-trimethylpentane 53.79
    2-methyltetrahydrofuran 803.62
    n-hexyl acetate 398.24
    isooctane 64.64
    2-(2-butoxyethoxy)ethanol 288.59
    sec-butyl acetate 232.6
    tert-butyl acetate 391.08
    decalin 89.82
    glycerin 60.87
    diglyme 527.87
    acrylic acid 94.99
    isopropyl myristate 209.6
    n-butyric acid 226.01
    acetyl acetate 266.34
    di(2-ethylhexyl) phthalate 157.35
    ethyl propionate 250.52
    nitromethane 179.9
    1,2-diethoxyethane 345.37
    benzonitrile 313.58
    trioctyl phosphate 134.95
    1-bromopropane 391.76
    gamma-valerolactone 708.33
    n-decanol 139.79
    triethyl phosphate 166.32
    4-methyl-2-pentanol 157.76
    propionitrile 264.77
    vinylene carbonate 307.1
    1,1,2-trichlorotrifluoroethane 261.54
    DMS 281.34
    cumene 181.83
    2-octanol 142.75
    2-hexanone 290.03
    octyl acetate 231.16
    limonene 280.51
    1,2-dimethoxyethane 441.49
    ethyl orthosilicate 165.22
    tributyl phosphate 149.91
    diacetone alcohol 288.51
    N,N-dimethylaniline 222.84
    acrylonitrile 245.02
    aniline 290.61
    1,3-propanediol 121.82
    bromobenzene 509.35
    dibromomethane 470.82
    1,1,2,2-tetrachloroethane 490.38
    2-methyl-cyclohexyl acetate 298.09
    tetrabutyl urea 181.56
    diisobutyl methanol 181.2
    2-phenylethanol 320.58
    styrene 274.96
    dioctyl adipate 214.98
    dimethyl sulfate 166.62
    ethyl butyrate 333.65
    methyl lactate 113.67
    butyl lactate 187.62
    diethyl carbonate 217.33
    propanediol butyl ether 186.08
    triethyl orthoformate 251.2
    p-tert-butyltoluene 236.48
    methyl 4-tert-butylbenzoate 285.03
    morpholine 631.69
    tert-butylamine 194.3
    n-dodecanol 113.86
    dimethoxymethane 396.13
    ethylene carbonate 299.24
    cyrene 210.85
    2-ethoxyethyl acetate 340.97
    2-ethylhexyl acetate 408.48
    1,2,4-trichlorobenzene 363.84
    4-methylpyridine 585.14
    dibutyl ether 277.76
    2,6-dimethyl-4-heptanol 181.2
    DEF 323.72
    dimethyl isosorbide 440.95
    tetrachloroethylene 334.95
    eugenol 221.9
    triacetin 293.09
    span 80 214.65
    1,4-butanediol 60.28
    1,1-dichloroethane 442.75
    2-methyl-1-pentanol 145.09
    methyl formate 119.46
    2-methyl-1-butanol 191.78
    n-decane 78.37
    butyronitrile 315.79
    3,7-dimethyl-1-octanol 198.1
    1-chlorooctane 197.77
    1-chlorotetradecane 90.85
    n-nonane 76.63
    undecane 60.45
    tert-butylcyclohexane 86.08
    cyclooctane 96.93
    cyclopentanol 288.98
    tetrahydropyran 841.23
    tert-amyl methyl ether 279.51
    2,5,8-trioxanonane 344.72
    1-hexene 184.0
    2-isopropoxyethanol 171.27
    2,2,2-trifluoroethanol 47.09
    methyl butyrate 294.07

    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
Eugenia nitida (Brazil) Eugenia nitida Camb., fam. Myrtaceae 0.1%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Protium heptaphyllum 2c resin Protium heptaphyllum (Aubl.) March., fam. Burseraceae 0.4%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.01%