(1R,4S,5R)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene

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  • Identifiers

    CAS number
    28477-64-7

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H]([C@@]12CCC(=CC2)C)C(=C)C

    Retention indicies (RI)

    • DB5: 1466.0
    • Carbowax: 1757.0

  • Odor profile

    Woody 77.91%
    Sweet 62.24%
    Citrus 48.84%
    Spicy 46.77%
    Terpenic 44.45%
    Herbal 41.75%
    Fresh 41.7%
    Green 40.16%
    Balsamic 38.77%
    Dry 37.47%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    89.82 ˚C

  • Synonyms

    • 28477-64-7
    • (1R,4S,5R)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
    • beta-Acoradiene
    • (1R,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene
    • .beta.-Acoradiene
    • (-)-beta- acoradiene
    • DTXSID90601964
    • CHEBI:172925
    • DVBSKQAFCDJNSL-ILXRZTDVSA-N

  • Applications

    As a spiro-framework sesquiterpene hydrocarbon commonly detected in plant essential oils, it is used mainly in R&D: as a reference standard for GC-MS/GCxGC to aid identification, retention-index calibration and essential-oil quality control; as a probe for enantioselective chromatographic separations, biosynthetic pathway studies, and preclinical bioactivity screens (antimicrobial, insecticidal/repellent, antioxidant); as a feedstock/precursor for mild derivatizations (hydrogenation, epoxidation/oxidation, hydroxylation) to generate oxygenated analogues for structure-activity and odor-modulation studies; in perfumery, whether neat or as part of natural fractions, it contributes woody, resinous, herbal nuances to strengthen middle/base notes and tune diffusion, and at trace levels may be explored in flavor trials subject to regulations; it is also employed in chemical ecology to emulate plant volatile signals in behavioral assays (olfactometry, EAG) with pollinators or pests.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 926.08
    methanol 434.43
    isopropanol 1203.4
    water 0.21
    ethyl acetate 1850.09
    n-propanol 1049.51
    acetone 1450.85
    n-butanol 1419.61
    acetonitrile 775.67
    DMF 863.21
    toluene 2367.36
    isobutanol 915.35
    1,4-dioxane 3113.49
    methyl acetate 1070.85
    THF 5004.76
    2-butanone 1515.19
    n-pentanol 541.98
    sec-butanol 864.12
    n-hexane 540.65
    ethylene glycol 40.65
    NMP 528.61
    cyclohexane 1163.59
    DMSO 414.49
    n-butyl acetate 2026.49
    n-octanol 470.47
    chloroform 2592.27
    n-propyl acetate 754.25
    acetic acid 250.42
    dichloromethane 1940.61
    cyclohexanone 1915.79
    propylene glycol 100.02
    isopropyl acetate 1634.03
    DMAc 685.92
    2-ethoxyethanol 484.33
    isopentanol 1318.36
    n-heptane 558.52
    ethyl formate 541.5
    1,2-dichloroethane 1416.31
    n-hexanol 1504.05
    2-methoxyethanol 904.82
    isobutyl acetate 700.21
    tetrachloromethane 711.67
    n-pentyl acetate 792.01
    transcutol 2631.58
    n-heptanol 502.49
    ethylbenzene 685.86
    MIBK 1379.34
    2-propoxyethanol 1429.11
    tert-butanol 1542.84
    MTBE 3040.69
    2-butoxyethanol 624.8
    propionic acid 318.75
    o-xylene 894.43
    formic acid 39.03
    diethyl ether 3437.32
    m-xylene 1468.0
    p-xylene 777.12
    chlorobenzene 1222.19
    dimethyl carbonate 387.24
    n-octane 155.34
    formamide 87.59
    cyclopentanone 1815.85
    2-pentanone 1704.68
    anisole 988.03
    cyclopentyl methyl ether 2290.09
    gamma-butyrolactone 1324.37
    1-methoxy-2-propanol 1025.43
    pyridine 1900.73
    3-pentanone 1220.09
    furfural 798.6
    n-dodecane 92.42
    diethylene glycol 458.49
    diisopropyl ether 1419.45
    tert-amyl alcohol 940.25
    acetylacetone 1348.41
    n-hexadecane 110.13
    acetophenone 629.14
    methyl propionate 1030.23
    isopentyl acetate 1946.0
    trichloroethylene 1913.61
    n-nonanol 440.04
    cyclohexanol 1132.05
    benzyl alcohol 451.79
    2-ethylhexanol 993.46
    isooctanol 464.33
    dipropyl ether 2195.28
    1,2-dichlorobenzene 849.96
    ethyl lactate 201.62
    propylene carbonate 777.32
    n-methylformamide 320.19
    2-pentanol 1037.48
    n-pentane 741.53
    1-propoxy-2-propanol 1277.08
    1-methoxy-2-propyl acetate 1545.57
    2-(2-methoxypropoxy) propanol 627.18
    mesitylene 926.06
    ε-caprolactone 1330.47
    p-cymene 576.3
    epichlorohydrin 1751.17
    1,1,1-trichloroethane 1661.68
    2-aminoethanol 151.65
    morpholine-4-carbaldehyde 907.8
    sulfolane 773.65
    2,2,4-trimethylpentane 269.4
    2-methyltetrahydrofuran 3244.82
    n-hexyl acetate 1080.66
    isooctane 345.26
    2-(2-butoxyethoxy)ethanol 899.41
    sec-butyl acetate 752.88
    tert-butyl acetate 1737.03
    decalin 316.72
    glycerin 130.71
    diglyme 1711.96
    acrylic acid 168.7
    isopropyl myristate 480.41
    n-butyric acid 958.63
    acetyl acetate 877.86
    di(2-ethylhexyl) phthalate 313.97
    ethyl propionate 753.73
    nitromethane 435.25
    1,2-diethoxyethane 2091.52
    benzonitrile 725.82
    trioctyl phosphate 245.42
    1-bromopropane 1810.63
    gamma-valerolactone 1641.11
    n-decanol 325.7
    triethyl phosphate 350.97
    4-methyl-2-pentanol 797.39
    propionitrile 1249.78
    vinylene carbonate 649.25
    1,1,2-trichlorotrifluoroethane 491.16
    DMS 606.56
    cumene 452.55
    2-octanol 363.88
    2-hexanone 847.07
    octyl acetate 505.01
    limonene 833.82
    1,2-dimethoxyethane 1495.44
    ethyl orthosilicate 399.83
    tributyl phosphate 305.63
    diacetone alcohol 936.28
    N,N-dimethylaniline 583.57
    acrylonitrile 751.77
    aniline 1223.11
    1,3-propanediol 443.45
    bromobenzene 1515.66
    dibromomethane 1664.66
    1,1,2,2-tetrachloroethane 1510.14
    2-methyl-cyclohexyl acetate 756.4
    tetrabutyl urea 352.48
    diisobutyl methanol 677.03
    2-phenylethanol 818.4
    styrene 803.32
    dioctyl adipate 479.27
    dimethyl sulfate 310.78
    ethyl butyrate 1172.7
    methyl lactate 255.98
    butyl lactate 375.14
    diethyl carbonate 618.04
    propanediol butyl ether 404.29
    triethyl orthoformate 800.65
    p-tert-butyltoluene 633.34
    methyl 4-tert-butylbenzoate 625.62
    morpholine 2901.64
    tert-butylamine 1501.76
    n-dodecanol 253.04
    dimethoxymethane 1492.03
    ethylene carbonate 698.05
    cyrene 325.44
    2-ethoxyethyl acetate 963.25
    2-ethylhexyl acetate 1516.99
    1,2,4-trichlorobenzene 867.59
    4-methylpyridine 2068.08
    dibutyl ether 1210.14
    2,6-dimethyl-4-heptanol 677.03
    DEF 1126.44
    dimethyl isosorbide 1105.17
    tetrachloroethylene 952.32
    eugenol 465.81
    triacetin 614.82
    span 80 520.42
    1,4-butanediol 100.17
    1,1-dichloroethane 1831.64
    2-methyl-1-pentanol 556.87
    methyl formate 250.84
    2-methyl-1-butanol 996.02
    n-decane 171.53
    butyronitrile 1565.19
    3,7-dimethyl-1-octanol 637.24
    1-chlorooctane 488.63
    1-chlorotetradecane 200.36
    n-nonane 179.16
    undecane 119.43
    tert-butylcyclohexane 298.69
    cyclooctane 484.05
    cyclopentanol 840.04
    tetrahydropyran 4541.08
    tert-amyl methyl ether 1451.92
    2,5,8-trioxanonane 988.64
    1-hexene 1043.38
    2-isopropoxyethanol 446.78
    2,2,2-trifluoroethanol 87.63
    methyl butyrate 829.76

    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
Amyris 1 8015-65-4 Amyris balsamifera L., fam. Rutaceae 1.0%
Calamus (Italy) root 8015-79-0 Acorus calamus L., fam. Araceae 0.51%
Calamus (Canada) root 8015-79-0 Acorus calamus L., fam. Araceae 0.55%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 0.2%
Calamus (Turkey) Acorus calamus L., fam. Araceae 0.7%
Argyranthemum adauctum ssp. erythrocarpon Argyranthemum adauctum ssp. erythrocarpon Humphries, fam. Asteraceae 0.01%