Jalcaguaianolide

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H18O2

    SMILES
    CC1=CC[C@@H]2[C@H]1C3C(=C(C(=O)O3)C)CCC2=C

  • Odor profile

    Spicy 50.03%
    Woody 48.9%
    Sweet 42.55%
    Mint 36.11%
    Coconut 34.58%
    Herbal 32.48%
    Coumarinic 32.39%
    Tobacco 31.68%
    Nutty 30.06%
    Green 29.51%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point est.
    146.63 ˚C

  • Synonyms

    • Jalcaguaianolide
    • WAQFXLYLGJEYAW-ULVQEXTCSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.96
    methanol 160.72
    isopropanol 292.52
    water 0.6
    ethyl acetate 290.72
    n-propanol 243.1
    acetone 420.61
    n-butanol 249.53
    acetonitrile 224.49
    DMF 743.9
    toluene 546.96
    isobutanol 242.64
    1,4-dioxane 671.96
    methyl acetate 386.54
    THF 778.85
    2-butanone 569.31
    n-pentanol 160.3
    sec-butanol 271.69
    n-hexane 6.2
    ethylene glycol 38.56
    NMP 454.5
    cyclohexane 27.98
    DMSO 304.66
    n-butyl acetate 231.67
    n-octanol 89.3
    chloroform 1839.78
    n-propyl acetate 232.88
    acetic acid 161.13
    dichloromethane 1361.18
    cyclohexanone 675.08
    propylene glycol 65.52
    isopropyl acetate 227.3
    DMAc 568.72
    2-ethoxyethanol 220.37
    isopentanol 262.03
    n-heptane 7.85
    ethyl formate 248.58
    1,2-dichloroethane 628.0
    n-hexanol 175.59
    2-methoxyethanol 325.33
    isobutyl acetate 187.94
    tetrachloromethane 187.52
    n-pentyl acetate 200.74
    transcutol 524.23
    n-heptanol 111.02
    ethylbenzene 210.23
    MIBK 234.48
    2-propoxyethanol 287.6
    tert-butanol 290.73
    MTBE 218.06
    2-butoxyethanol 212.3
    propionic acid 200.48
    o-xylene 272.23
    formic acid 52.98
    diethyl ether 158.94
    m-xylene 311.83
    p-xylene 311.38
    chlorobenzene 525.66
    dimethyl carbonate 180.66
    n-octane 6.49
    formamide 137.91
    cyclopentanone 771.82
    2-pentanone 338.96
    anisole 336.2
    cyclopentyl methyl ether 269.45
    gamma-butyrolactone 648.73
    1-methoxy-2-propanol 310.77
    pyridine 914.42
    3-pentanone 272.84
    furfural 618.25
    n-dodecane 8.78
    diethylene glycol 212.81
    diisopropyl ether 70.29
    tert-amyl alcohol 242.0
    acetylacetone 363.3
    n-hexadecane 10.64
    acetophenone 335.71
    methyl propionate 268.68
    isopentyl acetate 242.56
    trichloroethylene 1404.62
    n-nonanol 89.57
    cyclohexanol 278.74
    benzyl alcohol 346.26
    2-ethylhexanol 111.78
    isooctanol 104.09
    dipropyl ether 78.23
    1,2-dichlorobenzene 435.1
    ethyl lactate 120.47
    propylene carbonate 394.61
    n-methylformamide 277.57
    2-pentanol 182.01
    n-pentane 10.95
    1-propoxy-2-propanol 202.02
    1-methoxy-2-propyl acetate 249.1
    2-(2-methoxypropoxy) propanol 206.74
    mesitylene 166.84
    ε-caprolactone 482.62
    p-cymene 104.07
    epichlorohydrin 826.19
    1,1,1-trichloroethane 595.31
    2-aminoethanol 89.63
    morpholine-4-carbaldehyde 567.49
    sulfolane 508.44
    2,2,4-trimethylpentane 13.7
    2-methyltetrahydrofuran 466.65
    n-hexyl acetate 232.05
    isooctane 12.11
    2-(2-butoxyethoxy)ethanol 255.38
    sec-butyl acetate 182.42
    tert-butyl acetate 210.65
    decalin 24.05
    glycerin 97.12
    diglyme 460.46
    acrylic acid 179.98
    isopropyl myristate 102.4
    n-butyric acid 278.7
    acetyl acetate 214.87
    di(2-ethylhexyl) phthalate 133.55
    ethyl propionate 185.61
    nitromethane 362.03
    1,2-diethoxyethane 217.55
    benzonitrile 509.77
    trioctyl phosphate 85.53
    1-bromopropane 295.18
    gamma-valerolactone 756.74
    n-decanol 69.83
    triethyl phosphate 98.96
    4-methyl-2-pentanol 129.58
    propionitrile 278.68
    vinylene carbonate 444.84
    1,1,2-trichlorotrifluoroethane 412.68
    DMS 248.02
    cumene 134.19
    2-octanol 87.38
    2-hexanone 244.31
    octyl acetate 126.23
    limonene 112.77
    1,2-dimethoxyethane 420.52
    ethyl orthosilicate 94.62
    tributyl phosphate 98.8
    diacetone alcohol 230.89
    N,N-dimethylaniline 209.19
    acrylonitrile 386.31
    aniline 458.55
    1,3-propanediol 174.49
    bromobenzene 573.69
    dibromomethane 779.15
    1,1,2,2-tetrachloroethane 980.75
    2-methyl-cyclohexyl acetate 172.88
    tetrabutyl urea 129.01
    diisobutyl methanol 78.35
    2-phenylethanol 282.41
    styrene 245.72
    dioctyl adipate 145.62
    dimethyl sulfate 232.52
    ethyl butyrate 170.02
    methyl lactate 146.58
    butyl lactate 162.9
    diethyl carbonate 132.93
    propanediol butyl ether 176.91
    triethyl orthoformate 124.63
    p-tert-butyltoluene 94.82
    methyl 4-tert-butylbenzoate 236.36
    morpholine 622.63
    tert-butylamine 162.63
    n-dodecanol 55.82
    dimethoxymethane 367.01
    ethylene carbonate 369.03
    cyrene 246.56
    2-ethoxyethyl acetate 271.53
    2-ethylhexyl acetate 189.64
    1,2,4-trichlorobenzene 510.43
    4-methylpyridine 864.39
    dibutyl ether 90.38
    2,6-dimethyl-4-heptanol 78.35
    DEF 309.49
    dimethyl isosorbide 333.64
    tetrachloroethylene 595.52
    eugenol 253.68
    triacetin 233.36
    span 80 178.01
    1,4-butanediol 85.86
    1,1-dichloroethane 704.59
    2-methyl-1-pentanol 189.62
    methyl formate 243.28
    2-methyl-1-butanol 235.0
    n-decane 12.66
    butyronitrile 281.14
    3,7-dimethyl-1-octanol 106.56
    1-chlorooctane 63.1
    1-chlorotetradecane 32.12
    n-nonane 9.68
    undecane 10.34
    tert-butylcyclohexane 20.86
    cyclooctane 10.03
    cyclopentanol 292.47
    tetrahydropyran 505.85
    tert-amyl methyl ether 151.49
    2,5,8-trioxanonane 312.12
    1-hexene 48.17
    2-isopropoxyethanol 194.19
    2,2,2-trifluoroethanol 105.67
    methyl butyrate 264.57

    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
Ferula arrigonii Ferula arrigonii Bocchieri, fam. Apiaceae (Umbelliferae) 0.3%