beta-Santalene

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  • Identifiers

    CAS number
    511-59-1

    Molecular formula
    C15H24

    SMILES
    CC(=CCC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)C

    Retention indicies (RI)

    • DB5: 1464.0
    • Carbowax: 1655.67

  • Odor profile

    Woody 84.68%
    Sweet 58.34%
    Balsamic 43.58%
    Green 42.34%
    Oily 41.87%
    Herbal 39.62%
    Citrus 38.18%
    Spicy 36.47%
    Fresh 35.62%
    Terpenic 35.56%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point est.
    89.57 ˚C

  • Synonyms

    • BETA-SANTALENE
    • (-)-beta-Santalene
    • 511-59-1
    • (+/-)-beta-Santalene
    • (-)-.beta.-Santalene
    • (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane
    • CHEBI:10440
    • DTXSID60883412
    • RG725C564C
    • (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
    • (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane
    • .beta.-Santalene
    • EINECS 208-130-1
    • (1S,2R,4R)-2-METHYL-3-METHYLENE-2-(4-METHYL-3-PENTEN-1-YL)BICYCLO(2.2.1)HEPTANE
    • Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-
    • Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-
    • Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-penten-1-yl)-, (1S,2R,4R)-
    • Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S,2R,4R)-
    • 37876-50-9
    • Bicyclo(2.2.1)heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-
    • (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo(2.2.1)heptane
    • (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo(2.2.1)heptane
    • (1S-exo)-2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptane
    • Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-
    • (-)-ss-Santalen
    • DTXCID501022943
    • NS00013185
    • C09718
    • Q27108639

  • Applications

    beta-Santalene (β-santalene, CAS 511-59-1) is a sandalwood-derived sesquiterpene hydrocarbon used primarily as a fragrance ingredient delivering warm, creamy, woody sandalwood facets with good substantivity and fixative effects in fine fragrances, personal care (soaps, shampoos, creams), and home/air care (detergents, deodorizers, candles, diffusers), as well as in sandalwood reconstitutions and substitutes; it is also employed as an analytical reference standard in GC-MS/GC-FID for essential oil profiling, quality control, and authentication of sandalwood-derived materials; serves as a biosynthetic/chemical precursor toward santalol and related aroma chemicals (enabling studies of terpene synthases and metabolic engineering in yeast/plants); functions as a starting material and intermediate in aroma synthesis and as a model molecule for studies of stereochemistry, isomerization, and chiral separations; use should comply with IFRA guidance and regional fragrance safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2366.66
    methanol 1208.78
    isopropanol 2542.83
    water 0.8
    ethyl acetate 5102.14
    n-propanol 2289.02
    acetone 2439.55
    n-butanol 2893.93
    acetonitrile 1413.77
    DMF 1498.44
    toluene 4003.49
    isobutanol 1774.36
    1,4-dioxane 7527.25
    methyl acetate 2331.68
    THF 7828.3
    2-butanone 2556.02
    n-pentanol 1179.76
    sec-butanol 1923.64
    n-hexane 1116.94
    ethylene glycol 125.81
    NMP 790.91
    cyclohexane 2118.86
    DMSO 672.18
    n-butyl acetate 4073.68
    n-octanol 676.14
    chloroform 5174.13
    n-propyl acetate 1767.03
    acetic acid 788.79
    dichloromethane 3792.65
    cyclohexanone 2742.72
    propylene glycol 285.34
    isopropyl acetate 4485.08
    DMAc 1511.18
    2-ethoxyethanol 1486.51
    isopentanol 2901.07
    n-heptane 754.6
    ethyl formate 1200.56
    1,2-dichloroethane 2909.01
    n-hexanol 2626.19
    2-methoxyethanol 2711.58
    isobutyl acetate 1495.11
    tetrachloromethane 1341.19
    n-pentyl acetate 1295.85
    transcutol 7494.76
    n-heptanol 764.2
    ethylbenzene 1277.33
    MIBK 2657.77
    2-propoxyethanol 3544.21
    tert-butanol 3241.63
    MTBE 7918.55
    2-butoxyethanol 1304.45
    propionic acid 804.14
    o-xylene 1564.6
    formic acid 184.8
    diethyl ether 8972.73
    m-xylene 2552.47
    p-xylene 1464.39
    chlorobenzene 2124.47
    dimethyl carbonate 969.54
    n-octane 225.26
    formamide 383.05
    cyclopentanone 2164.83
    2-pentanone 3219.33
    anisole 2206.77
    cyclopentyl methyl ether 4230.02
    gamma-butyrolactone 1948.07
    1-methoxy-2-propanol 2590.5
    pyridine 3687.68
    3-pentanone 2329.22
    furfural 1540.89
    n-dodecane 128.23
    diethylene glycol 1351.1
    diisopropyl ether 4157.76
    tert-amyl alcohol 2132.01
    acetylacetone 3008.09
    n-hexadecane 154.23
    acetophenone 1177.65
    methyl propionate 2436.54
    isopentyl acetate 4212.52
    trichloroethylene 4014.96
    n-nonanol 700.21
    cyclohexanol 2099.25
    benzyl alcohol 884.62
    2-ethylhexanol 1647.78
    isooctanol 707.17
    dipropyl ether 4263.68
    1,2-dichlorobenzene 1653.38
    ethyl lactate 453.26
    propylene carbonate 1391.53
    n-methylformamide 753.89
    2-pentanol 2405.64
    n-pentane 1461.29
    1-propoxy-2-propanol 2791.84
    1-methoxy-2-propyl acetate 4491.88
    2-(2-methoxypropoxy) propanol 1479.98
    mesitylene 1654.07
    ε-caprolactone 2489.59
    p-cymene 932.16
    epichlorohydrin 3157.63
    1,1,1-trichloroethane 3253.42
    2-aminoethanol 491.08
    morpholine-4-carbaldehyde 2045.42
    sulfolane 1039.69
    2,2,4-trimethylpentane 620.9
    2-methyltetrahydrofuran 5671.02
    n-hexyl acetate 1746.95
    isooctane 843.72
    2-(2-butoxyethoxy)ethanol 2180.41
    sec-butyl acetate 1907.29
    tert-butyl acetate 4461.72
    decalin 631.98
    glycerin 364.55
    diglyme 4044.22
    acrylic acid 426.34
    isopropyl myristate 867.79
    n-butyric acid 2305.92
    acetyl acetate 2598.04
    di(2-ethylhexyl) phthalate 539.36
    ethyl propionate 1854.92
    nitromethane 1114.37
    1,2-diethoxyethane 6287.72
    benzonitrile 1249.56
    trioctyl phosphate 358.51
    1-bromopropane 3206.24
    gamma-valerolactone 3063.06
    n-decanol 517.33
    triethyl phosphate 810.2
    4-methyl-2-pentanol 1828.28
    propionitrile 1907.14
    vinylene carbonate 1296.58
    1,1,2-trichlorotrifluoroethane 1198.61
    DMS 1388.73
    cumene 869.57
    2-octanol 524.56
    2-hexanone 1481.88
    octyl acetate 855.2
    limonene 1364.8
    1,2-dimethoxyethane 3683.52
    ethyl orthosilicate 983.55
    tributyl phosphate 516.15
    diacetone alcohol 2057.85
    N,N-dimethylaniline 1199.02
    acrylonitrile 1370.25
    aniline 2416.45
    1,3-propanediol 1309.52
    bromobenzene 2562.92
    dibromomethane 2996.76
    1,1,2,2-tetrachloroethane 3208.8
    2-methyl-cyclohexyl acetate 1471.57
    tetrabutyl urea 550.45
    diisobutyl methanol 1245.34
    2-phenylethanol 1589.25
    styrene 1512.95
    dioctyl adipate 904.27
    dimethyl sulfate 645.27
    ethyl butyrate 2605.41
    methyl lactate 594.65
    butyl lactate 665.6
    diethyl carbonate 1562.91
    propanediol butyl ether 723.17
    triethyl orthoformate 2084.98
    p-tert-butyltoluene 1045.62
    methyl 4-tert-butylbenzoate 1127.97
    morpholine 7031.53
    tert-butylamine 3251.86
    n-dodecanol 397.56
    dimethoxymethane 3619.77
    ethylene carbonate 1411.41
    cyrene 557.05
    2-ethoxyethyl acetate 2197.3
    2-ethylhexyl acetate 3082.17
    1,2,4-trichlorobenzene 1689.93
    4-methylpyridine 3686.93
    dibutyl ether 2297.37
    2,6-dimethyl-4-heptanol 1245.34
    DEF 2515.85
    dimethyl isosorbide 2263.01
    tetrachloroethylene 2222.47
    eugenol 809.57
    triacetin 1239.05
    span 80 997.88
    1,4-butanediol 281.78
    1,1-dichloroethane 3438.43
    2-methyl-1-pentanol 1272.15
    methyl formate 497.46
    2-methyl-1-butanol 2133.39
    n-decane 246.43
    butyronitrile 2552.27
    3,7-dimethyl-1-octanol 1122.26
    1-chlorooctane 650.59
    1-chlorotetradecane 293.18
    n-nonane 244.6
    undecane 171.25
    tert-butylcyclohexane 647.31
    cyclooctane 850.56
    cyclopentanol 1349.64
    tetrahydropyran 8844.59
    tert-amyl methyl ether 3793.66
    2,5,8-trioxanonane 2571.58
    1-hexene 1949.79
    2-isopropoxyethanol 1221.78
    2,2,2-trifluoroethanol 286.83
    methyl butyrate 1743.56

    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
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 2.35%
Sandalwood, indian (India) 2 8006-87-9 Santalum album L., fam. Santalaceae 1.4%
Sandalwood, indian (India) 3 8006-87-9 Santalum album L., fam. Santalaceae 0.63%
Sandalwood, indian (China) 1 8006-87-9 Santalum album L., fam. Santalaceae 1.37%
Carrot seed (China) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.4%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.89%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.83%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.02%
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 0.8%
Orange, bitter (Italy) 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Sandalwood, indian (China) 2 8006-87-9 Santalum album L., fam. Santalaceae 1.81%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.01%
Ho leaf (Japan) 1a 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.15%
Lemon (Uruguay) 4 84929-31-7 Citrus limon (L.) Burm. f., cultivar Mesaro, fam. Rutaceae 0.05%
Lemon (Uruguay) 6 84929-31-7 Citrus limon (L.) Burm. f., cultivar Ferres, fam. Rutaceae 0.05%
Lemon (Uruguay) 7 84929-31-7 Citrus limon (L.) Burm. f., cultivar Vila, fam. Rutaceae 0.05%
Lemon (Italy-Sicily) 10 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Camphor (Cote d'Ivoire), 1b stem 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.4%
Camphor (Cote d'Ivoire), 1c bark 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 3.1%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.02%
Orange leaf, sweet (Italy) 2c Moro Citrus sinensis (L.) Osbeck, cultivar Moro, fam. Rutaceae 0.04%
Sugandha kokila fruit Cinnamomum glaucescens (Nees) Drury (C. cecidodaphne Meissn.)fam.Lauraceae 0.8%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.04%
Lemon (Uruguay) 8a 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Lemon (Uruguay) 8b 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.04%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.07%
Clementine x Lemon (Italy) 2 Citrus clementina Hort. ex Tan. x Citrus limon (L.) Burm., fam. Rutaceae 0.03%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Lemon (Italy-Sicily) 15a Femminello siracusano 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello siracusano, fam. Rutaceae 0.02%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 4.0%
Lime (Persian) (Cuba) 90063-52-8 Citrus latifolia Tanaka, fam. Rutaceae 0.05%
Lime (Mexican, West Indian, Key) (Vietnam) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Bergamot (Japan) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1a Castagnaro 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1b Fantastico 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1c Feminello 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1d PCF 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Calabria) 8 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 15b Femminello continella 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello continella, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 15c Femminello incappuciato 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello incappuciato, fam.Rutaceae 0.02%
Eugenia catharinensis leaf (Brazil) Eugenia catharinensis D. Legrand, fam. Myrtaceae 0.8%