Sclarene

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  • Identifiers

    CAS number
    511-02-4

    Molecular formula
    C20H32

    SMILES
    C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CCC(=C)C=C)(C)C

    Retention indicies (RI)

    • DB5: 1967.0

  • Odor profile

    Woody 80.93%
    Green 58.88%
    Sweet 43.91%
    Herbal 38.19%
    Citrus 37.88%
    Oily 37.19%
    Fresh 36.0%
    Terpenic 34.51%
    Dry 33.43%
    Spicy 33.34%

    Scent© AI

  • Properties

    XLogP3-AA
    7.5

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point est.
    137.59 ˚C

  • Synonyms

    • Sclarene
    • (+)-sclarene
    • Iso-biformene
    • 511-02-4
    • 95E3AV9Y7E
    • Sclaren
    • labda-8(17),13(16),14-triene
    • UNII-95E3AV9Y7E
    • CHEBI:64281
    • (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
    • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-penten-1-yl)-, (4aS,5S,8aS)-
    • Delta(8,17.13,16.14)-labdatriene
    • (4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylenepent-4-en-1-yl)decahydronaphthalene
    • Labda-8(20),13(16),14-triene
    • DTXSID301046577
    • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-pentenyl)-, [4aS-(4a.alpha.,5.alpha.,8a.beta.)]-
    • Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-pentenyl)-, (4aS-(4aalpha,5alpha,8abeta))-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.24
    methanol 85.05
    isopropanol 223.24
    water 0.03
    ethyl acetate 623.42
    n-propanol 287.74
    acetone 386.2
    n-butanol 369.5
    acetonitrile 121.14
    DMF 350.8
    toluene 1226.51
    isobutanol 236.24
    1,4-dioxane 1091.07
    methyl acetate 284.72
    THF 2466.3
    2-butanone 543.84
    n-pentanol 181.75
    sec-butanol 227.35
    n-hexane 136.01
    ethylene glycol 3.76
    NMP 414.05
    cyclohexane 401.43
    DMSO 104.6
    n-butyl acetate 995.94
    n-octanol 157.13
    chloroform 735.46
    n-propyl acetate 328.96
    acetic acid 63.25
    dichloromethane 657.9
    cyclohexanone 1008.69
    propylene glycol 13.2
    isopropyl acetate 591.24
    DMAc 373.68
    2-ethoxyethanol 147.74
    isopentanol 373.75
    n-heptane 215.83
    ethyl formate 145.71
    1,2-dichloroethane 512.91
    n-hexanol 544.21
    2-methoxyethanol 224.57
    isobutyl acetate 308.08
    tetrachloromethane 175.72
    n-pentyl acetate 432.69
    transcutol 1342.72
    n-heptanol 199.15
    ethylbenzene 318.83
    MIBK 510.38
    2-propoxyethanol 549.07
    tert-butanol 278.17
    MTBE 916.45
    2-butoxyethanol 273.44
    propionic acid 79.31
    o-xylene 424.17
    formic acid 9.22
    diethyl ether 1281.12
    m-xylene 662.42
    p-xylene 365.62
    chlorobenzene 546.43
    dimethyl carbonate 133.29
    n-octane 46.48
    formamide 19.52
    cyclopentanone 874.85
    2-pentanone 714.34
    anisole 445.09
    cyclopentyl methyl ether 1258.72
    gamma-butyrolactone 587.82
    1-methoxy-2-propanol 270.85
    pyridine 886.16
    3-pentanone 531.75
    furfural 362.73
    n-dodecane 22.24
    diethylene glycol 105.8
    diisopropyl ether 465.59
    tert-amyl alcohol 258.39
    acetylacetone 488.7
    n-hexadecane 27.54
    acetophenone 293.07
    methyl propionate 398.51
    isopentyl acetate 910.8
    trichloroethylene 754.91
    n-nonanol 161.37
    cyclohexanol 401.37
    benzyl alcohol 168.34
    2-ethylhexanol 420.63
    isooctanol 188.69
    dipropyl ether 1109.52
    1,2-dichlorobenzene 387.12
    ethyl lactate 77.14
    propylene carbonate 344.89
    n-methylformamide 85.14
    2-pentanol 300.43
    n-pentane 196.05
    1-propoxy-2-propanol 572.5
    1-methoxy-2-propyl acetate 807.31
    2-(2-methoxypropoxy) propanol 309.03
    mesitylene 392.36
    ε-caprolactone 705.78
    p-cymene 295.72
    epichlorohydrin 791.23
    1,1,1-trichloroethane 521.76
    2-aminoethanol 23.98
    morpholine-4-carbaldehyde 519.65
    sulfolane 395.44
    2,2,4-trimethylpentane 85.43
    2-methyltetrahydrofuran 1598.93
    n-hexyl acetate 500.28
    isooctane 86.45
    2-(2-butoxyethoxy)ethanol 420.29
    sec-butyl acetate 329.99
    tert-butyl acetate 666.26
    decalin 113.29
    glycerin 19.02
    diglyme 845.09
    acrylic acid 42.55
    isopropyl myristate 224.28
    n-butyric acid 281.46
    acetyl acetate 296.41
    di(2-ethylhexyl) phthalate 167.58
    ethyl propionate 319.24
    nitromethane 110.03
    1,2-diethoxyethane 980.08
    benzonitrile 273.69
    trioctyl phosphate 121.23
    1-bromopropane 635.38
    gamma-valerolactone 862.08
    n-decanol 114.78
    triethyl phosphate 200.82
    4-methyl-2-pentanol 224.93
    propionitrile 246.89
    vinylene carbonate 262.02
    1,1,2-trichlorotrifluoroethane 187.36
    DMS 279.46
    cumene 201.56
    2-octanol 126.64
    2-hexanone 365.49
    octyl acetate 243.64
    limonene 455.88
    1,2-dimethoxyethane 533.42
    ethyl orthosilicate 236.98
    tributyl phosphate 148.77
    diacetone alcohol 354.39
    N,N-dimethylaniline 304.45
    acrylonitrile 160.09
    aniline 459.91
    1,3-propanediol 88.82
    bromobenzene 708.57
    dibromomethane 522.3
    1,1,2,2-tetrachloroethane 562.52
    2-methyl-cyclohexyl acetate 445.91
    tetrabutyl urea 188.86
    diisobutyl methanol 261.69
    2-phenylethanol 368.54
    styrene 361.93
    dioctyl adipate 255.56
    dimethyl sulfate 126.01
    ethyl butyrate 635.94
    methyl lactate 75.61
    butyl lactate 193.39
    diethyl carbonate 304.31
    propanediol butyl ether 137.12
    triethyl orthoformate 473.56
    p-tert-butyltoluene 315.82
    methyl 4-tert-butylbenzoate 355.65
    morpholine 1170.99
    tert-butylamine 303.27
    n-dodecanol 83.78
    dimethoxymethane 608.74
    ethylene carbonate 266.04
    cyrene 197.98
    2-ethoxyethyl acetate 540.73
    2-ethylhexyl acetate 768.6
    1,2,4-trichlorobenzene 433.45
    4-methylpyridine 965.88
    dibutyl ether 471.84
    2,6-dimethyl-4-heptanol 261.69
    DEF 561.34
    dimethyl isosorbide 707.53
    tetrachloroethylene 345.81
    eugenol 237.61
    triacetin 332.93
    span 80 255.4
    1,4-butanediol 19.83
    1,1-dichloroethane 498.7
    2-methyl-1-pentanol 222.45
    methyl formate 62.05
    2-methyl-1-butanol 323.29
    n-decane 51.82
    butyronitrile 384.23
    3,7-dimethyl-1-octanol 221.26
    1-chlorooctane 195.18
    1-chlorotetradecane 69.59
    n-nonane 50.14
    undecane 32.23
    tert-butylcyclohexane 104.21
    cyclooctane 149.98
    cyclopentanol 259.52
    tetrahydropyran 2083.85
    tert-amyl methyl ether 596.6
    2,5,8-trioxanonane 508.5
    1-hexene 364.99
    2-isopropoxyethanol 154.11
    2,2,2-trifluoroethanol 20.04
    methyl butyrate 352.46

    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
Cedarleaf (U.S.A.) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.01%
Sage, dalmatian (Hungary) 2 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 1.9%
Sage, dalmatian (Albany) 2 8022-56-8 Salvia officinalis L, fam. Lamiaceae (Labiatae) 1.9%
Polylepis besseri (Bolivia) Polylepis besseri Hieron. ssp. besseri, fam. Rosaceae 1.0%