(+)-beta-Fenchene

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  • Identifiers

    CAS number
    33404-67-0

    Molecular formula
    C10H16

    SMILES
    CC1(C[C@H]2C[C@@H]1CC2=C)C

  • Odor profile

    Woody 80.22%
    Herbal 58.77%
    Sweet 56.4%
    Camphoreous 53.87%
    Spicy 53.04%
    Green 52.9%
    Fresh 52.14%
    Terpenic 51.72%
    Pine 51.01%
    Citrus 47.97%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.4 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point est.
    34.42 ˚C

  • Synonyms

    • 33404-67-0
    • (+)-beta-Fenchene
    • DTXSID401037315
    • (1R,4R)-2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane
    • [1r,4r,(+)]-2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane

  • Applications

    (+)-beta-Fenchene (CAS 33404-67-0) is a bicyclic monoterpene with a fresh pine–camphoraceous character used across fragrance and flavor: it lifts bright top notes and adds green, herbal, woody-pine nuances in fine fragrances, soaps, detergents, air care and candles; at trace levels it serves as a flavor modulator for citrus–mint–herbal profiles in confectionery, beverages, chewing gum and oral-care products (subject to local regulations); in synthesis, its rigid chiral scaffold provides a convenient chiral-pool starting point for epoxides, alcohols (fenchols), ketones (fenchones) and aromatic esters via epoxidation, hydroboration–oxidation and related transformations, supporting fragrance, cosmetic, pharmaceutical-intermediate and fine-chemical manufacture; in research, the (+)-beta enantiomer is employed as a GC/GC–MS reference for essential-oil fingerprinting and as a model biogenic VOC in studies of ozonolysis and OH/NO3 radical kinetics, and it has been investigated for antimicrobial, antifungal and insect-repellent potential in greener agrochemical and pest-control formulations; its high volatility and enantio-dependent sensory properties make this enantiomer valuable for precisely tuning odor nuance and threshold in complex product matrices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1460.68
    methanol 990.44
    isopropanol 1822.23
    water 4.87
    ethyl acetate 2404.28
    n-propanol 1593.26
    acetone 2432.24
    n-butanol 1601.54
    acetonitrile 1669.26
    DMF 1962.09
    toluene 1156.17
    isobutanol 1405.05
    1,4-dioxane 2854.83
    methyl acetate 2415.12
    THF 3736.73
    2-butanone 2316.74
    n-pentanol 925.61
    sec-butanol 1522.89
    n-hexane 417.73
    ethylene glycol 359.78
    NMP 807.08
    cyclohexane 398.27
    DMSO 1014.99
    n-butyl acetate 1877.48
    n-octanol 869.72
    chloroform 3049.78
    n-propyl acetate 1158.76
    acetic acid 632.84
    dichloromethane 2037.53
    cyclohexanone 1552.24
    propylene glycol 746.68
    isopropyl acetate 2005.24
    DMAc 1674.72
    2-ethoxyethanol 1348.61
    isopentanol 1494.04
    n-heptane 378.1
    ethyl formate 1101.83
    1,2-dichloroethane 1437.08
    n-hexanol 1791.6
    2-methoxyethanol 2107.51
    isobutyl acetate 972.02
    tetrachloromethane 730.79
    n-pentyl acetate 959.02
    transcutol 3542.42
    n-heptanol 815.5
    ethylbenzene 779.93
    MIBK 1496.48
    2-propoxyethanol 2801.0
    tert-butanol 2138.42
    MTBE 2646.76
    2-butoxyethanol 1395.66
    propionic acid 952.71
    o-xylene 741.89
    formic acid 211.4
    diethyl ether 2185.26
    m-xylene 944.21
    p-xylene 976.73
    chlorobenzene 1159.72
    dimethyl carbonate 949.39
    n-octane 198.82
    formamide 442.4
    cyclopentanone 1932.32
    2-pentanone 1865.7
    anisole 1618.7
    cyclopentyl methyl ether 1555.84
    gamma-butyrolactone 1782.03
    1-methoxy-2-propanol 2277.97
    pyridine 1772.1
    3-pentanone 1404.48
    furfural 1527.79
    n-dodecane 168.02
    diethylene glycol 1489.65
    diisopropyl ether 1026.07
    tert-amyl alcohol 1602.5
    acetylacetone 2051.23
    n-hexadecane 187.62
    acetophenone 1043.51
    methyl propionate 1710.8
    isopentyl acetate 1890.56
    trichloroethylene 2332.84
    n-nonanol 802.2
    cyclohexanol 976.21
    benzyl alcohol 876.89
    2-ethylhexanol 1108.14
    isooctanol 708.94
    dipropyl ether 1601.18
    1,2-dichlorobenzene 979.96
    ethyl lactate 625.63
    propylene carbonate 1198.24
    n-methylformamide 1064.1
    2-pentanol 1317.13
    n-pentane 398.93
    1-propoxy-2-propanol 2428.41
    1-methoxy-2-propyl acetate 2282.34
    2-(2-methoxypropoxy) propanol 1392.08
    mesitylene 654.17
    ε-caprolactone 1408.4
    p-cymene 620.38
    epichlorohydrin 2320.9
    1,1,1-trichloroethane 2132.61
    2-aminoethanol 782.06
    morpholine-4-carbaldehyde 1632.79
    sulfolane 1133.55
    2,2,4-trimethylpentane 233.39
    2-methyltetrahydrofuran 2289.55
    n-hexyl acetate 1460.32
    isooctane 271.48
    2-(2-butoxyethoxy)ethanol 1796.58
    sec-butyl acetate 1091.22
    tert-butyl acetate 2006.13
    decalin 263.44
    glycerin 722.22
    diglyme 2733.85
    acrylic acid 666.88
    isopropyl myristate 759.47
    n-butyric acid 1374.2
    acetyl acetate 1448.58
    di(2-ethylhexyl) phthalate 498.03
    ethyl propionate 1310.97
    nitromethane 1590.62
    1,2-diethoxyethane 1935.91
    benzonitrile 1031.97
    trioctyl phosphate 410.33
    1-bromopropane 1402.68
    gamma-valerolactone 2248.41
    n-decanol 663.8
    triethyl phosphate 565.35
    4-methyl-2-pentanol 1041.71
    propionitrile 1720.54
    vinylene carbonate 1110.57
    1,1,2-trichlorotrifluoroethane 1301.52
    DMS 1227.23
    cumene 582.13
    2-octanol 634.19
    2-hexanone 1265.9
    octyl acetate 840.7
    limonene 740.2
    1,2-dimethoxyethane 2536.67
    ethyl orthosilicate 602.72
    tributyl phosphate 526.06
    diacetone alcohol 1685.94
    N,N-dimethylaniline 952.82
    acrylonitrile 1722.96
    aniline 1188.78
    1,3-propanediol 1151.73
    bromobenzene 1293.16
    dibromomethane 1494.42
    1,1,2,2-tetrachloroethane 2060.98
    2-methyl-cyclohexyl acetate 866.34
    tetrabutyl urea 551.1
    diisobutyl methanol 793.28
    2-phenylethanol 1311.82
    styrene 899.76
    dioctyl adipate 727.84
    dimethyl sulfate 868.34
    ethyl butyrate 1314.76
    methyl lactate 922.24
    butyl lactate 781.86
    diethyl carbonate 900.47
    propanediol butyl ether 1154.35
    triethyl orthoformate 967.66
    p-tert-butyltoluene 681.4
    methyl 4-tert-butylbenzoate 1065.85
    morpholine 2758.34
    tert-butylamine 1686.39
    n-dodecanol 546.03
    dimethoxymethane 2093.13
    ethylene carbonate 1069.17
    cyrene 672.61
    2-ethoxyethyl acetate 1361.46
    2-ethylhexyl acetate 1370.92
    1,2,4-trichlorobenzene 1064.99
    4-methylpyridine 1865.06
    dibutyl ether 1269.65
    2,6-dimethyl-4-heptanol 793.28
    DEF 1352.37
    dimethyl isosorbide 1690.86
    tetrachloroethylene 1174.89
    eugenol 1022.72
    triacetin 1137.34
    span 80 1034.93
    1,4-butanediol 466.48
    1,1-dichloroethane 2256.42
    2-methyl-1-pentanol 848.91
    methyl formate 934.06
    2-methyl-1-butanol 1264.37
    n-decane 246.52
    butyronitrile 1635.42
    3,7-dimethyl-1-octanol 1042.07
    1-chlorooctane 673.36
    1-chlorotetradecane 334.3
    n-nonane 249.2
    undecane 200.27
    tert-butylcyclohexane 302.54
    cyclooctane 215.31
    cyclopentanol 1070.23
    tetrahydropyran 2435.21
    tert-amyl methyl ether 1608.52
    2,5,8-trioxanonane 1756.81
    1-hexene 911.23
    2-isopropoxyethanol 1167.81
    2,2,2-trifluoroethanol 397.25
    methyl butyrate 1357.97

    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 2 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.05%
Marigold pot 1 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 7.46%
Marigold pot 2 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.65%
Juniper berry 4 8012-91-7 Juniperus communis L., fam. Cupressaceae 4.45%
Fennel, bitter (Hungary) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.03%
Fennel, bitter (Spain) 1 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.09%
Fennel, sweet 2 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 0.06%