Zonarene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    51819-91-1

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CCC(=C2C1CCC(=C2)C)C(C)C

    Retention indicies (RI)

    • Carbowax: 1735.0

  • Odor profile

    Woody 83.66%
    Spicy 67.66%
    Herbal 55.87%
    Dry 41.3%
    Fresh 41.2%
    Terpenic 40.6%
    Balsamic 40.41%
    Sweet 39.62%
    Citrus 39.03%
    Pine 32.62%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point est.
    98.56 ˚C

  • Synonyms

    • Zonarene
    • CHEBI:228360
    • (1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
    • Q67880159
    • 36437-95-3

  • Applications

    Zonarene (CAS 51819-91-1) is a marine-derived sesquiterpene chiefly used as a reference/standard for analytical identification of natural products (GC–MS, NMR, LC–MS), in biosynthetic and synthetic methodology studies (reaction models, stereochemical control), as a chemotaxonomic/provenance marker, and as a probe in chemical-ecology experiments on defense/signaling; it is also screened as a lead for potential antibacterial, antifouling, and antioxidant applications, while direct commercial uses remain largely confined to research settings.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.42
    methanol 24.55
    isopropanol 85.49
    water 0.01
    ethyl acetate 239.03
    n-propanol 92.95
    acetone 212.19
    n-butanol 129.93
    acetonitrile 92.96
    DMF 148.91
    toluene 577.53
    isobutanol 86.17
    1,4-dioxane 595.37
    methyl acetate 170.66
    THF 1089.78
    2-butanone 277.36
    n-pentanol 90.86
    sec-butanol 98.08
    n-hexane 157.59
    ethylene glycol 3.78
    NMP 231.98
    cyclohexane 330.98
    DMSO 99.65
    n-butyl acetate 585.64
    n-octanol 160.05
    chloroform 613.05
    n-propyl acetate 188.84
    acetic acid 39.34
    dichloromethane 588.36
    cyclohexanone 569.38
    propylene glycol 11.43
    isopropyl acetate 209.81
    DMAc 174.45
    2-ethoxyethanol 68.54
    isopentanol 135.53
    n-heptane 290.83
    ethyl formate 97.97
    1,2-dichloroethane 381.84
    n-hexanol 301.58
    2-methoxyethanol 79.45
    isobutyl acetate 184.35
    tetrachloromethane 152.17
    n-pentyl acetate 279.63
    transcutol 435.58
    n-heptanol 146.4
    ethylbenzene 260.92
    MIBK 210.55
    2-propoxyethanol 222.04
    tert-butanol 130.18
    MTBE 311.74
    2-butoxyethanol 142.25
    propionic acid 50.55
    o-xylene 277.73
    formic acid 3.25
    diethyl ether 373.46
    m-xylene 344.76
    p-xylene 308.15
    chlorobenzene 376.14
    dimethyl carbonate 56.17
    n-octane 89.6
    formamide 7.94
    cyclopentanone 560.03
    2-pentanone 280.2
    anisole 276.97
    cyclopentyl methyl ether 510.04
    gamma-butyrolactone 360.3
    1-methoxy-2-propanol 97.48
    pyridine 543.72
    3-pentanone 236.43
    furfural 238.08
    n-dodecane 58.01
    diethylene glycol 63.11
    diisopropyl ether 168.38
    tert-amyl alcohol 129.2
    acetylacetone 245.31
    n-hexadecane 69.16
    acetophenone 224.93
    methyl propionate 155.14
    isopentyl acetate 503.02
    trichloroethylene 580.57
    n-nonanol 153.97
    cyclohexanol 212.86
    benzyl alcohol 134.46
    2-ethylhexanol 299.59
    isooctanol 136.25
    dipropyl ether 560.62
    1,2-dichlorobenzene 293.17
    ethyl lactate 53.63
    propylene carbonate 222.35
    n-methylformamide 39.41
    2-pentanol 111.82
    n-pentane 134.08
    1-propoxy-2-propanol 237.89
    1-methoxy-2-propyl acetate 330.3
    2-(2-methoxypropoxy) propanol 187.73
    mesitylene 237.44
    ε-caprolactone 398.53
    p-cymene 291.51
    epichlorohydrin 447.08
    1,1,1-trichloroethane 421.8
    2-aminoethanol 13.25
    morpholine-4-carbaldehyde 254.49
    sulfolane 292.58
    2,2,4-trimethylpentane 59.28
    2-methyltetrahydrofuran 785.56
    n-hexyl acetate 365.19
    isooctane 58.13
    2-(2-butoxyethoxy)ethanol 222.03
    sec-butyl acetate 167.66
    tert-butyl acetate 249.25
    decalin 131.63
    glycerin 13.43
    diglyme 397.04
    acrylic acid 31.88
    isopropyl myristate 199.77
    n-butyric acid 127.29
    acetyl acetate 151.28
    di(2-ethylhexyl) phthalate 143.37
    ethyl propionate 164.84
    nitromethane 70.06
    1,2-diethoxyethane 445.8
    benzonitrile 235.08
    trioctyl phosphate 111.19
    1-bromopropane 448.67
    gamma-valerolactone 430.85
    n-decanol 123.44
    triethyl phosphate 136.69
    4-methyl-2-pentanol 91.98
    propionitrile 139.99
    vinylene carbonate 172.47
    1,1,2-trichlorotrifluoroethane 123.89
    DMS 186.84
    cumene 177.36
    2-octanol 121.64
    2-hexanone 232.52
    octyl acetate 221.72
    limonene 392.97
    1,2-dimethoxyethane 275.21
    ethyl orthosilicate 149.6
    tributyl phosphate 128.04
    diacetone alcohol 161.69
    N,N-dimethylaniline 198.08
    acrylonitrile 104.09
    aniline 227.17
    1,3-propanediol 35.06
    bromobenzene 506.07
    dibromomethane 519.19
    1,1,2,2-tetrachloroethane 435.97
    2-methyl-cyclohexyl acetate 296.65
    tetrabutyl urea 173.89
    diisobutyl methanol 181.19
    2-phenylethanol 251.65
    styrene 287.22
    dioctyl adipate 218.88
    dimethyl sulfate 67.87
    ethyl butyrate 357.7
    methyl lactate 39.51
    butyl lactate 129.63
    diethyl carbonate 185.05
    propanediol butyl ether 96.18
    triethyl orthoformate 240.32
    p-tert-butyltoluene 278.74
    methyl 4-tert-butylbenzoate 230.56
    morpholine 501.17
    tert-butylamine 127.5
    n-dodecanol 104.66
    dimethoxymethane 183.64
    ethylene carbonate 160.86
    cyrene 140.83
    2-ethoxyethyl acetate 283.17
    2-ethylhexyl acetate 474.27
    1,2,4-trichlorobenzene 326.53
    4-methylpyridine 541.13
    dibutyl ether 378.07
    2,6-dimethyl-4-heptanol 181.19
    DEF 227.77
    dimethyl isosorbide 392.14
    tetrachloroethylene 259.72
    eugenol 165.22
    triacetin 214.53
    span 80 192.8
    1,4-butanediol 16.19
    1,1-dichloroethane 357.1
    2-methyl-1-pentanol 115.97
    methyl formate 38.43
    2-methyl-1-butanol 120.44
    n-decane 98.94
    butyronitrile 203.75
    3,7-dimethyl-1-octanol 181.85
    1-chlorooctane 232.66
    1-chlorotetradecane 103.87
    n-nonane 105.17
    undecane 73.11
    tert-butylcyclohexane 110.37
    cyclooctane 156.7
    cyclopentanol 179.46
    tetrahydropyran 913.64
    tert-amyl methyl ether 224.27
    2,5,8-trioxanonane 294.31
    1-hexene 303.27
    2-isopropoxyethanol 80.87
    2,2,2-trifluoroethanol 11.36
    methyl butyrate 202.08

    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
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Port Orford Cedarwood Chamaecyparis lawsoniana (A. Murray) Parl., fam. Cupressaceae 0.08%
Cubeb 2 8007-87-2 Piper cubeba L., fam. Piperaceae 0.05%