beta-Selinene

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  • Identifiers

    CAS number
    17066-67-0

    Molecular formula
    C15H24

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

    Retention indicies (RI)

    • DB5: 1487.57
    • Carbowax: 1728.71

  • Odor profile

    Fragrance
    Woody 68.24%
    Sweet 51.31%
    Citrus 49.61%
    Herbal 48.89%
    Green 47.11%
    Terpenic 46.83%
    Spicy 44.46%
    Fresh 43.24%
    Pine 38.38%
    Camphoreous 36.95%

     

    Flavor
    Herbal 48.66%
    Woody 47.21%
    Wood 42.47%
    Herb 37.13%
    Spice 34.74%
    Camphor 26.93%
    Fresh 26.16%
    Terpene 25.98%
    Green 25.21%
    Turpentine 24.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    9.55 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 98.94 ˚C est.

  • Synonyms

    • BETA-SELINENE
    • (+)-beta-Selinene
    • beta-Eudesmene
    • 17066-67-0
    • .beta.-Selinene
    • [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene
    • CHEBI:10443
    • Eudesma-4(14),11-diene
    • (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene
    • b-Selinene, (~90%)
    • Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-
    • .beta.-Eudesmene
    • (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-decahydronaphthalene
    • (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene
    • (+)-.beta.-Selinene
    • C09723
    • CHEMBL2287242
    • YOVSPTNQHMDJAG-QLFBSQMISA-N
    • DTXSID201020829
    • 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-
    • LMPR0103190014
    • NS00113988
    • Q27108640
    • (4AR,7R,8aS)-4a-methyl-1-methylene-7-(prop-1-en-2-yl)decahydronaphthalene
    • (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene
    • (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene

  • Applications

    beta-Selinene (CAS 17066-67-0) is a sesquiterpene hydrocarbon found in many essential oils and vegetable oils, commonly used in the fragrance field; in practice, it primarily functions as a natural odorant component, acting as an odorant and can serve as a fixative in certain perfume formulations; in addition, beta-Selinene is used in cosmetics and personal care products to add fragrance, in household cleaning products to impart scent, and may be evaluated for role as a flavor ingredient in aroma applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 863.09
    methanol 435.1
    isopropanol 816.64
    water 0.08
    ethyl acetate 1667.31
    n-propanol 849.84
    acetone 1029.23
    n-butanol 1028.12
    acetonitrile 646.08
    DMF 621.75
    toluene 1846.51
    isobutanol 544.65
    1,4-dioxane 3407.68
    methyl acetate 848.41
    THF 4963.88
    2-butanone 1098.96
    n-pentanol 413.59
    sec-butanol 528.31
    n-hexane 180.6
    ethylene glycol 18.49
    NMP 332.68
    cyclohexane 601.08
    DMSO 289.78
    n-butyl acetate 2411.96
    n-octanol 284.12
    chloroform 1927.35
    n-propyl acetate 701.06
    acetic acid 199.94
    dichloromethane 1713.61
    cyclohexanone 1458.03
    propylene glycol 51.3
    isopropyl acetate 1277.22
    DMAc 408.36
    2-ethoxyethanol 400.44
    isopentanol 820.65
    n-heptane 404.41
    ethyl formate 562.35
    1,2-dichloroethane 1141.01
    n-hexanol 1323.36
    2-methoxyethanol 825.03
    isobutyl acetate 522.45
    tetrachloromethane 349.57
    n-pentyl acetate 635.94
    transcutol 2661.54
    n-heptanol 328.67
    ethylbenzene 422.35
    MIBK 838.45
    2-propoxyethanol 1411.36
    tert-butanol 901.93
    MTBE 1801.07
    2-butoxyethanol 466.64
    propionic acid 227.12
    o-xylene 548.01
    formic acid 30.0
    diethyl ether 2764.14
    m-xylene 929.08
    p-xylene 472.2
    chlorobenzene 949.9
    dimethyl carbonate 231.96
    n-octane 85.8
    formamide 74.62
    cyclopentanone 1320.89
    2-pentanone 1315.06
    anisole 689.81
    cyclopentyl methyl ether 1744.16
    gamma-butyrolactone 1042.76
    1-methoxy-2-propanol 751.39
    pyridine 2053.28
    3-pentanone 785.35
    furfural 650.58
    n-dodecane 48.75
    diethylene glycol 330.5
    diisopropyl ether 776.67
    tert-amyl alcohol 467.18
    acetylacetone 985.99
    n-hexadecane 60.07
    acetophenone 403.86
    methyl propionate 794.57
    isopentyl acetate 1859.95
    trichloroethylene 1518.05
    n-nonanol 280.29
    cyclohexanol 685.96
    benzyl alcohol 300.24
    2-ethylhexanol 803.9
    isooctanol 264.32
    dipropyl ether 2356.94
    1,2-dichlorobenzene 546.82
    ethyl lactate 127.21
    propylene carbonate 591.42
    n-methylformamide 267.76
    2-pentanol 607.15
    n-pentane 281.82
    1-propoxy-2-propanol 1280.13
    1-methoxy-2-propyl acetate 1551.61
    2-(2-methoxypropoxy) propanol 456.05
    mesitylene 506.53
    ε-caprolactone 1011.59
    p-cymene 451.86
    epichlorohydrin 1579.55
    1,1,1-trichloroethane 946.68
    2-aminoethanol 93.84
    morpholine-4-carbaldehyde 749.16
    sulfolane 464.73
    2,2,4-trimethylpentane 92.31
    2-methyltetrahydrofuran 2732.31
    n-hexyl acetate 815.64
    isooctane 130.31
    2-(2-butoxyethoxy)ethanol 729.77
    sec-butyl acetate 550.85
    tert-butyl acetate 1146.05
    decalin 135.18
    glycerin 59.82
    diglyme 1535.72
    acrylic acid 111.27
    isopropyl myristate 342.14
    n-butyric acid 818.6
    acetyl acetate 704.79
    di(2-ethylhexyl) phthalate 217.12
    ethyl propionate 585.47
    nitromethane 378.54
    1,2-diethoxyethane 2615.06
    benzonitrile 596.03
    trioctyl phosphate 152.22
    1-bromopropane 1176.14
    gamma-valerolactone 1475.31
    n-decanol 208.2
    triethyl phosphate 270.0
    4-methyl-2-pentanol 407.36
    propionitrile 911.48
    vinylene carbonate 530.63
    1,1,2-trichlorotrifluoroethane 300.37
    DMS 402.43
    cumene 241.61
    2-octanol 203.43
    2-hexanone 641.13
    octyl acetate 356.73
    limonene 710.95
    1,2-dimethoxyethane 1492.09
    ethyl orthosilicate 318.1
    tributyl phosphate 208.23
    diacetone alcohol 581.29
    N,N-dimethylaniline 363.2
    acrylonitrile 596.49
    aniline 898.74
    1,3-propanediol 338.77
    bromobenzene 1141.83
    dibromomethane 1290.03
    1,1,2,2-tetrachloroethane 1009.7
    2-methyl-cyclohexyl acetate 615.71
    tetrabutyl urea 261.06
    diisobutyl methanol 495.31
    2-phenylethanol 657.27
    styrene 549.18
    dioctyl adipate 360.14
    dimethyl sulfate 144.57
    ethyl butyrate 1333.69
    methyl lactate 139.63
    butyl lactate 275.94
    diethyl carbonate 613.92
    propanediol butyl ether 242.9
    triethyl orthoformate 830.62
    p-tert-butyltoluene 482.9
    methyl 4-tert-butylbenzoate 388.7
    morpholine 3437.19
    tert-butylamine 820.39
    n-dodecanol 163.93
    dimethoxymethane 1378.7
    ethylene carbonate 546.03
    cyrene 202.66
    2-ethoxyethyl acetate 858.84
    2-ethylhexyl acetate 1425.85
    1,2,4-trichlorobenzene 552.39
    4-methylpyridine 1911.96
    dibutyl ether 1036.96
    2,6-dimethyl-4-heptanol 495.31
    DEF 860.47
    dimethyl isosorbide 903.88
    tetrachloroethylene 653.16
    eugenol 284.77
    triacetin 416.98
    span 80 378.31
    1,4-butanediol 59.92
    1,1-dichloroethane 1169.98
    2-methyl-1-pentanol 342.73
    methyl formate 197.14
    2-methyl-1-butanol 549.63
    n-decane 100.18
    butyronitrile 1326.95
    3,7-dimethyl-1-octanol 394.14
    1-chlorooctane 318.44
    1-chlorotetradecane 116.2
    n-nonane 97.67
    undecane 67.12
    tert-butylcyclohexane 128.58
    cyclooctane 206.21
    cyclopentanol 508.65
    tetrahydropyran 4333.53
    tert-amyl methyl ether 778.42
    2,5,8-trioxanonane 859.58
    1-hexene 576.38
    2-isopropoxyethanol 315.47
    2,2,2-trifluoroethanol 44.75
    methyl butyrate 685.04

    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
Abies alba from cones 8021-27-0 Abies alba Mill., fam. Pinaceae 0.01%
Abies semenovii Abies semenovii L., fam. Pinaceae 0.01%
Ageratum conyzoides (Vietnam) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 2.0%
Alpinia chinensis (China) Alpinia chinensis Rosc., fam. Zingiberaceae 0.01%
Alpinia japonica Alpinia japonica Miq., fam. Zingiberaceae 2.5%
Amomum muricarpum Amomum muricarpum Elm, fam. Zingiberaceae 1.3%
Amomum villosum (China) 1e Amomum villosum Lour., fam. Zingiberaceae 3.9%
Amomum villosum (China) 1b Amomum villosum Lour., fam. Zingiberaceae 0.5%
Chamomile, wild (Morocco) Ormenis mixta, fam. Asteraceae (Compositae) 0.3%
Asafoetida (Pakistan) 1a 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 16.2%
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 2.0%
Basil (Finland) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.6%
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Capillipedium foetidum Capillipedium foetidum (Lisboa) Raiz & Jain, fam. Poaceae (Gramineae) 0.14%
Caraway herb 8000-42-8 Carum carvi L., fam. Apiaceae (Umbelliferae) 0.25%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.31%
Savin 2 8024-00-8 Juniperus sabina L., fam. Cupressaceae 0.01%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Celery seed 2 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 3.68%
Celery seed (Pakistan) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 30.5%
Celery seed (France) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.75%
Celery flower 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 5.6%
Celery seed 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 8.0%
Celery leaf 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 3.7%
Celery root 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.2%
Celery seed (China) 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 12.17%
Celery stem 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.4%
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.22%
Clove bud 3 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Cymbopogon distans 1 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 1), fam. Poaceae (Gramineae) 2.9%
Cymbopogon distans 4 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 4), fam. Poaceae (Gramineae) 1.2%
Cyperus scariosus Cyperus scariosus R.Br., fam. Cupressaceae 3.0%
Ducrosia anethifolia (Pakistan) Ducrosia anethifolia (DC.) Boiss., fam. Apiaceae (Umbelliferae) 0.91%
Elsholtzia blanda (China) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 0.34%
Geranium (India) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.89%
Geranium (India) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.41%
Ginseng Panax ginseng C.A. Meyer (P. quinquefolium L.), fam. Araliaceae 3.0%
Helichrysum italicum (Yugoslavia) 8023-95-8 Helichrysum italicum (Roth) G. Don (H. angustifolium D.C.), fam.Asteraceae 6.0%
Hemizygia welwitschii Hemizygia welwitschii (Rolfe) M.Ashby (Orthosiphon welwitschii) 2.2%
Juniper berry 1 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.32%
Lavandula dentata (Chemotype A) Lavandula dentata L. (Chemotype A), fam. Lamiaceae (Labiatae) 0.3%
Lavandula dentata (Chemotype B) Lavandula dentata L. (Chemotype B), fam. Lamiaceae (Labiatae) 0.5%
Lovage root (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.57%
Lovage headspace 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.82%
Lovage root (China) 1 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 5.92%
Lovage root (China) 2 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 4.49%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Palmarosa (India) 3 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.04%
Parsley herb (Egypt) 1 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.09%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Serbia-Montenegro) 1b flower 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Helichrysum litoreum (Italy) 1a flower Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.6%
Helichrysum litoreum (Italy) 1b stem Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.05%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 1.0%
Salvia pomifera Salvia pomifera L. ssp. calycina (Sm.) Hayek, fam. Lamiaceae (Labiatae) 0.01%
Plectranthus barbatus (Brazil) 2a leaf Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 2.1%
Oregano, spanish (Israel) 4 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.05%
Geranium (Cuba) 8000-46-2 Pelargonium species, fam. Geraniaceae 0.3%
Baccharis coridifolia Baccharis coridifolia De Candole, fam. Asteraceae (Compositae) 8.2%
Protium heptaphyllum 2a leaf Protium heptaphyllum (Aubl.) March., fam. Burseraceae 2.5%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.08%
Cassinia laevis flower Cassinia laevis R.Br., fam. Asteraceae (Compositae) 1.1%
Cassinia laevis leaf Cassinia laevis R.Br., fam. Asteraceae (Compositae) 2.3%
Pepper, black (India) 4 8006-82-4 Piper nigrum L., fam. Piperaceae 0.47%
Pepper, black (Malaysia) 8006-82-4 Piper nigrum L., fam. Piperaceae 1.1%
Pepper, black (India) 5a 8006-82-4 Piper nigrum L., cultivar 'Karimunda', fam. Piperaceae 0.1%
Pepper, black (India) 5b 8006-82-4 Piper nigrum L., cultivar 'Kalluvally', fam. Piperaceae 0.25%
Pepper, black (India) 5c 8006-82-4 Piper nigrum L., cultivar 'Thommankodi', fam. Piperaceae 0.15%
Pepper, black (India) 5d 8006-82-4 Piper nigrum L., cultivar 'Arakulam', fam. Piperaceae 0.35%
Pepper, black (Sao Tome) 8006-82-4 Piper nigrum L., fam. Piperaceae 0.7%
Prangos uloptera (Iran) aerial parts Prangos uloptera DC., fam. Apiaceae (Umbelliferae) 1.7%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.3%
Cajuput (Australia) 2 8008-98-8 Melaleuca cajuputi Powell, var. cajuputi, fam. Myrtaceae 1.6%
Aristolochia odoratissima Aristolochia odoratissima L., fam. Aristolochaceae 0.05%
Pinus sylvestris (Greece) 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.9%
Pinus mugo (Dwarf pine) 3 (Greece) 8000-26-8 Pinus mugo Turra, fam. Pinaceae 2.1%
Microglossa pyrrhopappa Microglossa pyrrhopappa (A. Rich) Agnew var. Phyrropappa, fam. Asteraceae 1.5%
Neomitranthes cordifolia Neomitranthes cordifolia (D. Legrand) D. Legrand, fam. Myrtaceae 2.1%
Metrosideros robusta leaf Metrosideros robusta A. Cunn., fam. Myrtaceae 1.5%
Abies alba needle (Montenegro) 8021-27-0 Abies alba Mill., fam. Pinaceae 0.05%
Amorpha fruticosa flower Amorpha fruticosa L., fam. Papilionaceae 0.6%
Amorpha fruticosa leaf Amorpha fruticosa L., fam. Papilionaceae 0.6%
Amorpha fruticosa fruit Amorpha fruticosa L., fam. Papilionaceae 1.9%
Laurel leaf (Turkey) 2c CO2-extracted 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.55%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Calamus (Bangladesh) root 8015-79-0 Acorus calamus L., fam. Araceae 0.02%
Calyptranthes sintenisii leaf Calyptranthes sintenisii Kiaersk, fam. Myrtaceae 1.41%
Afrocarpus mannii 1a leaf Afrocarpus mannii Hook f., fam. Podocarpaceae 0.2%
Afrocarpus mannii 1b bark Afrocarpus mannii Hook f., fam. Podocarpaceae 0.2%
Fumana thymifolia Fumana thymifolia (L.) Spach ex Webb, fam. Cistaceae 3.0%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 1.0%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.01%
Espeletia batata leaf Espeletia batata Quatrec., fam. Asteraceae (Compositae) 0.2%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.2%
Oregano, mexican (Guatemala) Lippia graveolens HBK., fam. Verbenaceae 1.2%
Hemidesmus indicus Hemidesmus indicus R.Br., fam. Asclepiadaceae 0.1%
Helichrysum bracteiferum (Madagascar) 2 Helichrysum bracteiferum (DC) H. Humbert, fam. Asteraceae (Compositae) 1.2%
Helichrysum hypnoides (Madagascar) 3 Helichrysum hypnoides (DC.) R.Vig. et Humbert, fam.Asteraceae (Compositae) 0.3%
Marihuana (Austria) Cannabis sativa L., fam. Cannabinaceae 0.2%