beta-Farnesene, (6Z)-

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  • Identifiers

    CAS number
    28973-97-9

    Molecular formula
    C15H24

    SMILES
    CC(=CCC/C(=C\CCC(=C)C=C)/C)C

    Retention indicies (RI)

    • DB5: 1453.4
    • Carbowax: 1663.6

  • Odor profile

    Fragrance
    Woody 71.48%
    Floral 63.12%
    Herbal 62.54%
    Citrus 61.81%
    Sweet 57.48%
    Green 54.02%
    Balsamic 50.26%
    Fresh 46.83%
    Terpenic 43.38%
    Waxy 40.11%

     

    Flavor
    Citrus 57.08%
    Woody 48.63%
    Sweet 48.11%
    Wood 47.75%
    Balsam 46.8%
    Balsamic 43.23%
    Spicy 39.85%
    Herbal 37.9%
    Terpene 33.58%
    Spice 31.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    8.66 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 102.88 ˚C est.

  • Synonyms

    • cis-beta-Farnesene
    • 28973-97-9
    • beta-cis-farnesene
    • (6Z)-beta-farnesene
    • UNII-G7F9BVF1UR
    • beta-Farnesene, (6Z)-
    • G7F9BVF1UR
    • 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-
    • FEMA No. 3839, (6Z)-beta-
    • BETA-FARNESENE
    • .beta.-cis-Farnesene
    • cis-.beta.-Farnesene
    • (Z)-7,11-dimethyl-3-methylene-1,6,10-dodecatriene
    • (Z)-.beta.-Farnesene
    • 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6Z)-
    • (6Z)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
    • (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
    • DTXSID101017764
    • beta-(Z)-farnesene
    • 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
    • CHEBI:39242
    • JSNRRGGBADWTMC-QINSGFPZSA-N
    • DTXCID801475947
    • .BETA.-FARNESENE, (6Z)-
    • NS00122651
    • FEMA NO. 3839, (6Z)-.BETA.-
    • Q27119785
    • (6Z)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene

  • Applications

    beta-Farnesene, (6Z)- (CAS 28973-97-9) is used primarily as a natural odorant and fragrance ingredient in perfumery, and as a fragrance component in cosmetics and personal care products; it is also evaluated as a flavor/aroma ingredient in food processing; in industrial manufacturing it serves as a biobased building block and intermediate for the synthesis of other terpenoids; as a plant-derived hydrocarbon, it functions as a renewable feedstock for fragrance-related chemistry and related household product applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.03
    methanol 79.48
    isopropanol 126.89
    water 0.01
    ethyl acetate 479.88
    n-propanol 157.8
    acetone 114.7
    n-butanol 245.43
    acetonitrile 66.05
    DMF 51.16
    toluene 475.06
    isobutanol 104.78
    1,4-dioxane 768.96
    methyl acetate 149.95
    THF 1048.22
    2-butanone 248.22
    n-pentanol 203.72
    sec-butanol 201.19
    n-hexane 526.05
    ethylene glycol 4.4
    NMP 85.21
    cyclohexane 547.49
    DMSO 84.51
    n-butyl acetate 895.0
    n-octanol 150.25
    chloroform 569.37
    n-propyl acetate 287.32
    acetic acid 39.2
    dichloromethane 455.24
    cyclohexanone 342.04
    propylene glycol 18.16
    isopropyl acetate 377.26
    DMAc 134.21
    2-ethoxyethanol 177.13
    isopentanol 243.03
    n-heptane 649.62
    ethyl formate 76.61
    1,2-dichloroethane 327.16
    n-hexanol 466.34
    2-methoxyethanol 169.15
    isobutyl acetate 240.56
    tetrachloromethane 111.1
    n-pentyl acetate 272.29
    transcutol 1293.81
    n-heptanol 161.52
    ethylbenzene 320.32
    MIBK 269.47
    2-propoxyethanol 389.76
    tert-butanol 216.41
    MTBE 784.89
    2-butoxyethanol 189.01
    propionic acid 44.4
    o-xylene 253.59
    formic acid 5.75
    diethyl ether 1223.04
    m-xylene 310.6
    p-xylene 273.52
    chlorobenzene 207.5
    dimethyl carbonate 32.58
    n-octane 119.0
    formamide 9.81
    cyclopentanone 204.85
    2-pentanone 317.83
    anisole 384.85
    cyclopentyl methyl ether 622.93
    gamma-butyrolactone 143.0
    1-methoxy-2-propanol 182.6
    pyridine 392.64
    3-pentanone 254.59
    furfural 131.7
    n-dodecane 48.89
    diethylene glycol 88.25
    diisopropyl ether 528.88
    tert-amyl alcohol 278.3
    acetylacetone 205.07
    n-hexadecane 58.33
    acetophenone 203.05
    methyl propionate 168.94
    isopentyl acetate 799.44
    trichloroethylene 403.95
    n-nonanol 162.08
    cyclohexanol 225.29
    benzyl alcohol 114.96
    2-ethylhexanol 509.1
    isooctanol 146.22
    dipropyl ether 1696.84
    1,2-dichlorobenzene 190.41
    ethyl lactate 61.4
    propylene carbonate 119.95
    n-methylformamide 21.13
    2-pentanol 247.56
    n-pentane 313.8
    1-propoxy-2-propanol 492.62
    1-methoxy-2-propyl acetate 596.57
    2-(2-methoxypropoxy) propanol 305.49
    mesitylene 222.91
    ε-caprolactone 306.18
    p-cymene 284.27
    epichlorohydrin 349.16
    1,1,1-trichloroethane 359.46
    2-aminoethanol 20.33
    morpholine-4-carbaldehyde 184.18
    sulfolane 136.98
    2,2,4-trimethylpentane 141.67
    2-methyltetrahydrofuran 949.23
    n-hexyl acetate 380.52
    isooctane 118.92
    2-(2-butoxyethoxy)ethanol 371.7
    sec-butyl acetate 356.93
    tert-butyl acetate 506.17
    decalin 237.21
    glycerin 19.85
    diglyme 743.86
    acrylic acid 19.9
    isopropyl myristate 228.29
    n-butyric acid 158.82
    acetyl acetate 186.36
    di(2-ethylhexyl) phthalate 129.95
    ethyl propionate 287.86
    nitromethane 49.04
    1,2-diethoxyethane 1556.65
    benzonitrile 125.13
    trioctyl phosphate 81.2
    1-bromopropane 576.64
    gamma-valerolactone 263.56
    n-decanol 120.17
    triethyl phosphate 218.29
    4-methyl-2-pentanol 172.04
    propionitrile 112.51
    vinylene carbonate 79.38
    1,1,2-trichlorotrifluoroethane 111.99
    DMS 149.59
    cumene 215.0
    2-octanol 114.99
    2-hexanone 336.1
    octyl acetate 216.29
    limonene 516.18
    1,2-dimethoxyethane 570.51
    ethyl orthosilicate 287.27
    tributyl phosphate 120.7
    diacetone alcohol 235.71
    N,N-dimethylaniline 262.02
    acrylonitrile 59.95
    aniline 179.83
    1,3-propanediol 59.86
    bromobenzene 288.33
    dibromomethane 433.38
    1,1,2,2-tetrachloroethane 435.51
    2-methyl-cyclohexyl acetate 495.04
    tetrabutyl urea 153.34
    diisobutyl methanol 312.4
    2-phenylethanol 237.11
    styrene 312.91
    dioctyl adipate 280.87
    dimethyl sulfate 34.64
    ethyl butyrate 778.1
    methyl lactate 38.53
    butyl lactate 109.51
    diethyl carbonate 338.54
    propanediol butyl ether 103.7
    triethyl orthoformate 586.12
    p-tert-butyltoluene 294.15
    methyl 4-tert-butylbenzoate 227.26
    morpholine 783.7
    tert-butylamine 237.25
    n-dodecanol 96.32
    dimethoxymethane 177.01
    ethylene carbonate 88.88
    cyrene 121.57
    2-ethoxyethyl acetate 344.12
    2-ethylhexyl acetate 794.7
    1,2,4-trichlorobenzene 212.04
    4-methylpyridine 367.49
    dibutyl ether 834.07
    2,6-dimethyl-4-heptanol 312.4
    DEF 265.21
    dimethyl isosorbide 562.17
    tetrachloroethylene 239.32
    eugenol 149.67
    triacetin 230.79
    span 80 241.93
    1,4-butanediol 19.82
    1,1-dichloroethane 300.51
    2-methyl-1-pentanol 249.64
    methyl formate 13.76
    2-methyl-1-butanol 210.58
    n-decane 107.9
    butyronitrile 217.41
    3,7-dimethyl-1-octanol 238.58
    1-chlorooctane 259.57
    1-chlorotetradecane 99.4
    n-nonane 118.23
    undecane 68.01
    tert-butylcyclohexane 224.94
    cyclooctane 273.42
    cyclopentanol 116.69
    tetrahydropyran 1275.61
    tert-amyl methyl ether 734.25
    2,5,8-trioxanonane 520.83
    1-hexene 851.51
    2-isopropoxyethanol 173.17
    2,2,2-trifluoroethanol 6.6
    methyl butyrate 288.04

    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
Ambrosia artemisiafolia Ambrosia artemisiafolia (Catinga de bode), fam. Asteraceae (Compositae) 1.24%
Star anise (China) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.08%
Star anise (Vietnam) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.06%
Lemon (Spain) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.05%
Fissitigma shangtzeense, flower extract Fissitigma shangtzeense Tsiang et P.T. Li, fam. Annonaceae 0.75%
Ginger (China) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.79%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 1.0%
Lemon (Israel) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%
Ocimum minimum (Brazil) Ocimum minimum (common name: Mangericao), fam. Lamiaceae (Labiatae) 4.54%
Mapo tangelo Citrus ssp. Mapo tangelo, fam. Rutaceae 0.15%
Grapefruit (Italy) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.03%
Baccharis genistelloides Baccharis genistelloides Pers. (Carqueja), fam. Asteraceae (Compositae) 0.68%
Thyme (Italy) 1 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.03%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 0.2%
Cumin (Turkey) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.04%
Cumin (Turkey) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.39%
Cumin (Turkey) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.07%
Cumin (Turkey) 4 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.41%
Cumin (Turkey) 5 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.38%
Cumin (Turkey) 6 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.67%
Cumin (Egypt) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.44%
Cumin (India) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.21%
Ageratum conyzoides (Ghana) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.32%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.2%
Erigeron canadensis Erigeron canadensis L. (Conyza canadensis (L.) Cronquist), fam. Asteraceae 1.6%
Ocimum gratissimum (Nigeria) stem Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.26%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 3.0%
Orange, sweet (Italy) 5 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Santolina neapolitana (Italy) Santolina neapolitana Jordan et Fourr., fam. Asteraceae (Compositae) 1.4%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 1.0%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 1.15%
Chamomile, german (Brazil) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 15.97%
Bitter orange leaf (Petitgrain) (Spain) 2 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.08%
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 0.4%
Cinnamomum parthenoxylum (China) 1a Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Cinnamomum parthenoxylum (China) 1b Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.45%
Cinnamomum parthenoxylum (China) 1c Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Cinnamomum parthenoxylum (China) 1d Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Cinnamomum parthenoxylum (China) 1f Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Cinnamomum parthenoxylum (China) 1g Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 0.1%
Basil (Italy) 3 CO2-extract 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.83%
Lemon (Italy-Sicily) 10 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Peucedanum zenkeri (Cameroon) 1a Peucedanum zenkeri Engl., fam. Apiaceae (Umbelliferae) 0.5%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.55%
Phoebe 2 Phoebe porsa Mez. (syn. Oreodaphne prosa Nees & Mart.), fam. Lauraceae 0.4%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.36%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.09%
Alpinia conchigera (Malaysia) Alpinia conchigera Griff, fam. Zingiberaceae 3.59%
Guava leaf 3 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.46%
Psidium guineense leaf Psidium guineense Sw., fam. Myrtaceae 0.93%