beta-Longipinene

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  • Identifiers

    CAS number
    41432-70-6

    Molecular formula
    C15H24

    SMILES
    CC1(CCCC2(C3C1C2C(=C)CC3)C)C

    Retention indicies (RI)

    • DB5: 1398.0

  • Odor profile

    Woody 85.58%
    Dry 47.97%
    Amber 46.96%
    Cedar 44.03%
    Sweet 43.25%
    Spicy 41.74%
    Camphoreous 33.72%
    Vetiver 33.55%
    Fresh 31.87%
    Sandalwood 31.68%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.99 (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 est.
    70.0 ˚C

  • Synonyms

    • beta-Longipinene
    • (1S,2R,7S,8S)-2,6,6-Trimethyl-9-methylenetricyclo[5.4.0.02,8]undecane
    • Tricyclo[5.4.0.02,8]undecane, 2,6,6-trimethyl-9-methylene-, (1S,2R,7S,8S)-
    • 2,6,6-trimethyl-9-methylidenetricyclo(5.4.0.02,8)undecane
    • 2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane
    • (1S,2R,7S,8S)-2,6,6-Trimethyl-9-methylenetricyclo(5.4.0.02,8)undecane
    • Tricyclo(5.4.0.02,8)undecane, 2,6,6-trimethyl-9-methylene-, (1S,2R,7S,8S)-
    • (-)-.beta.-Longipinene
    • CHEBI:192781
    • 41432-70-6
    • Q67879725
    • 2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.0(2,8)]undecane

  • Applications

    beta-Longipinene (CAS 41432-70-6) is a sesquiterpene hydrocarbon with woody, resinous, and slightly spicy nuances, used mainly in fragrance compositions to build woody–balsamic accords, enhance diffusion, and improve longevity in perfumes, soaps, shampoos, scented candles, air care, and personal care products; in food flavor technology it may be incorporated as a natural aroma component in flavor formulations where legally permitted; in bioactivity research it has been investigated for antibacterial, anti-inflammatory, antioxidant, insect-repellent/inhibitory properties and potential biopreservation roles; in aroma chemistry it serves as a GC–MS marker/standard for essential-oil profiling and quality control, and as a starting material for synthesizing terpene derivatives and fragrance intermediates; in practice, it should be stabilized against oxidation, stored sealed away from light and heat, checked for matrix compatibility (oils, ethanol, surfactants), assessed for safety/irritancy, and used in compliance with relevant regulations and standards.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 391.01
    methanol 313.32
    isopropanol 528.55
    water 0.95
    ethyl acetate 944.36
    n-propanol 503.54
    acetone 1116.09
    n-butanol 545.18
    acetonitrile 626.44
    DMF 1206.2
    toluene 1101.83
    isobutanol 464.31
    1,4-dioxane 1874.91
    methyl acetate 782.38
    THF 3672.69
    2-butanone 956.0
    n-pentanol 274.44
    sec-butanol 392.33
    n-hexane 176.79
    ethylene glycol 81.99
    NMP 798.92
    cyclohexane 388.31
    DMSO 591.6
    n-butyl acetate 880.41
    n-octanol 360.99
    chloroform 1808.35
    n-propyl acetate 468.38
    acetic acid 219.97
    dichloromethane 1342.53
    cyclohexanone 1519.56
    propylene glycol 122.95
    isopropyl acetate 844.11
    DMAc 643.37
    2-ethoxyethanol 360.8
    isopentanol 530.27
    n-heptane 212.26
    ethyl formate 501.52
    1,2-dichloroethane 1042.22
    n-hexanol 692.42
    2-methoxyethanol 668.86
    isobutyl acetate 443.15
    tetrachloromethane 454.64
    n-pentyl acetate 554.74
    transcutol 1047.96
    n-heptanol 364.5
    ethylbenzene 438.32
    MIBK 754.12
    2-propoxyethanol 937.8
    tert-butanol 626.93
    MTBE 982.7
    2-butoxyethanol 536.88
    propionic acid 312.29
    o-xylene 544.9
    formic acid 57.68
    diethyl ether 1092.19
    m-xylene 767.71
    p-xylene 520.21
    chlorobenzene 874.47
    dimethyl carbonate 486.27
    n-octane 103.48
    formamide 111.06
    cyclopentanone 2028.56
    2-pentanone 968.65
    anisole 685.17
    cyclopentyl methyl ether 1500.62
    gamma-butyrolactone 1751.34
    1-methoxy-2-propanol 672.12
    pyridine 1221.65
    3-pentanone 731.12
    furfural 1034.27
    n-dodecane 68.24
    diethylene glycol 503.22
    diisopropyl ether 509.7
    tert-amyl alcohol 422.95
    acetylacetone 1111.13
    n-hexadecane 81.7
    acetophenone 486.96
    methyl propionate 761.27
    isopentyl acetate 902.07
    trichloroethylene 1607.91
    n-nonanol 312.88
    cyclohexanol 620.32
    benzyl alcohol 362.9
    2-ethylhexanol 444.55
    isooctanol 307.53
    dipropyl ether 763.97
    1,2-dichlorobenzene 714.4
    ethyl lactate 244.03
    propylene carbonate 900.05
    n-methylformamide 452.64
    2-pentanol 415.57
    n-pentane 226.32
    1-propoxy-2-propanol 736.05
    1-methoxy-2-propyl acetate 961.02
    2-(2-methoxypropoxy) propanol 412.05
    mesitylene 529.37
    ε-caprolactone 1114.15
    p-cymene 336.29
    epichlorohydrin 1757.35
    1,1,1-trichloroethane 1168.88
    2-aminoethanol 164.57
    morpholine-4-carbaldehyde 1081.88
    sulfolane 1343.86
    2,2,4-trimethylpentane 101.89
    2-methyltetrahydrofuran 1772.83
    n-hexyl acetate 725.58
    isooctane 131.22
    2-(2-butoxyethoxy)ethanol 557.37
    sec-butyl acetate 405.32
    tert-butyl acetate 879.94
    decalin 155.28
    glycerin 175.29
    diglyme 1096.28
    acrylic acid 240.8
    isopropyl myristate 326.22
    n-butyric acid 561.67
    acetyl acetate 600.72
    di(2-ethylhexyl) phthalate 238.04
    ethyl propionate 489.46
    nitromethane 571.84
    1,2-diethoxyethane 708.51
    benzonitrile 628.03
    trioctyl phosphate 217.5
    1-bromopropane 841.34
    gamma-valerolactone 1827.02
    n-decanol 230.36
    triethyl phosphate 280.84
    4-methyl-2-pentanol 360.51
    propionitrile 775.51
    vinylene carbonate 774.92
    1,1,2-trichlorotrifluoroethane 629.5
    DMS 598.9
    cumene 292.09
    2-octanol 272.33
    2-hexanone 505.53
    octyl acetate 358.69
    limonene 454.21
    1,2-dimethoxyethane 961.03
    ethyl orthosilicate 281.54
    tributyl phosphate 257.24
    diacetone alcohol 648.12
    N,N-dimethylaniline 413.65
    acrylonitrile 732.76
    aniline 672.27
    1,3-propanediol 320.24
    bromobenzene 1012.93
    dibromomethane 1036.21
    1,1,2,2-tetrachloroethane 1239.71
    2-methyl-cyclohexyl acetate 457.26
    tetrabutyl urea 287.57
    diisobutyl methanol 342.44
    2-phenylethanol 602.18
    styrene 497.93
    dioctyl adipate 342.16
    dimethyl sulfate 543.27
    ethyl butyrate 580.33
    methyl lactate 330.07
    butyl lactate 346.57
    diethyl carbonate 383.41
    propanediol butyl ether 395.67
    triethyl orthoformate 447.99
    p-tert-butyltoluene 368.44
    methyl 4-tert-butylbenzoate 530.73
    morpholine 1531.65
    tert-butylamine 494.13
    n-dodecanol 176.12
    dimethoxymethane 1213.39
    ethylene carbonate 735.92
    cyrene 360.84
    2-ethoxyethyl acetate 667.49
    2-ethylhexyl acetate 713.08
    1,2,4-trichlorobenzene 748.64
    4-methylpyridine 1263.05
    dibutyl ether 540.47
    2,6-dimethyl-4-heptanol 342.44
    DEF 746.18
    dimethyl isosorbide 835.01
    tetrachloroethylene 824.31
    eugenol 415.43
    triacetin 501.86
    span 80 373.39
    1,4-butanediol 119.44
    1,1-dichloroethane 1123.61
    2-methyl-1-pentanol 262.92
    methyl formate 468.5
    2-methyl-1-butanol 430.73
    n-decane 123.67
    butyronitrile 790.36
    3,7-dimethyl-1-octanol 372.18
    1-chlorooctane 354.59
    1-chlorotetradecane 146.59
    n-nonane 131.37
    undecane 88.72
    tert-butylcyclohexane 145.86
    cyclooctane 192.01
    cyclopentanol 669.95
    tetrahydropyran 1908.52
    tert-amyl methyl ether 590.13
    2,5,8-trioxanonane 641.15
    1-hexene 365.47
    2-isopropoxyethanol 315.71
    2,2,2-trifluoroethanol 143.16
    methyl butyrate 552.46

    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
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.1%
Tagetes (Argentina) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.8%