Isocurcumenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    24063-71-6

    Molecular formula
    C15H22O2

    SMILES
    C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(CC2=C)O

  • Odor profile

    Woody 43.46%
    Fresh 42.44%
    Spicy 39.67%
    Mint 38.49%
    Herbal 38.31%
    Camphoreous 27.61%
    Cooling 26.22%
    Citrus 26.19%
    Sweet 24.67%
    Earthy 24.08%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    350°C

    Flash point est.
    144.83 ˚C

  • Synonyms

    • Isocurcumenol
    • 24063-71-6
    • ISOURECUMENOL
    • (+)-Isocurcumenol
    • UE4RKR80F1
    • (1S,2S,5S,8R)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
    • UNII-UE4RKR80F1
    • 6H-3a,6-Epoxyazulen-6-ol, octahydro-3-methyl-8-methylene-5-(1-methylethylidene)-, (3S,3aS,6R,8aS)-
    • 5beta-Guaia-7(11),10(14)-dien-8alpha-ol, 5,8-epoxy-, (+)-
    • 5.BETA.-GUAIA-7(11),10(14)-DIEN-8.ALPHA.-OL, 5,8-EPOXY-, (+)-
    • (1S,2S,5S,8R)-2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo(6.2.1.01,5)undecan-8-ol
    • 3S-(3alpha,3aalpha,6alpha,8abeta)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol
    • CHEBI:196142
    • DTXSID701020836
    • GLXC-14101
    • HY-N4121
    • AKOS037515130
    • AC-35033
    • DA-54409
    • MS-23354
    • 1ST165590
    • CS-0032134
    • (1S,2S,5S,8R)-2-methyl-6-methylidene-9-(propan-2-ylidene)-11-oxatricyclo[6.2.1.0(1),?]undecan-8-ol
    • 3S-(3alpha,3aalpha,6alpha,8abeta)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)-6H-3a,6-epoxyazulen-6-ol

  • Applications

    Isocurcumenol (CAS 24063-71-6) is a natural sesquiterpene found in Curcuma species such as Curcuma zedoaria; in R&D it is used as a reference standard for qualitative/quantitative analysis (HPLC/LC-MS) and as a quality-control marker for botanicals, supporting raw-material authentication, batch-to-batch consistency, and formulation stability studies; in preclinical pharmacology it has been investigated for potential anti-inflammatory, antioxidant, antimicrobial, and anti-proliferative activities, and is employed as a lead scaffold for derivative design, target screening, and mechanism studies (e.g., NF-kB/MAPK pathways, apoptosis induction, cell-cycle arrest); it is also applied in bioavailability-enhancing formulation research (nano and liposomal systems), in metabolomics and chemotaxonomy for fingerprinting, and in fragrance research to characterize the sesquiterpene aroma profile of Curcuma; in synthetic chemistry, the molecule serves as a terpenoid framework for functionalization, stereochemical exploration, and structure-activity relationship evaluation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.3
    methanol 82.62
    isopropanol 97.78
    water 0.63
    ethyl acetate 80.41
    n-propanol 82.67
    acetone 104.54
    n-butanol 93.11
    acetonitrile 58.02
    DMF 191.88
    toluene 135.97
    isobutanol 80.34
    1,4-dioxane 194.56
    methyl acetate 91.68
    THF 382.11
    2-butanone 135.22
    n-pentanol 63.77
    sec-butanol 82.33
    n-hexane 3.54
    ethylene glycol 17.3
    NMP 196.97
    cyclohexane 11.08
    DMSO 104.5
    n-butyl acetate 100.84
    n-octanol 63.42
    chloroform 393.31
    n-propyl acetate 74.58
    acetic acid 66.91
    dichloromethane 240.37
    cyclohexanone 229.05
    propylene glycol 34.02
    isopropyl acetate 74.22
    DMAc 162.69
    2-ethoxyethanol 76.07
    isopentanol 87.89
    n-heptane 5.17
    ethyl formate 73.98
    1,2-dichloroethane 108.74
    n-hexanol 95.52
    2-methoxyethanol 121.42
    isobutyl acetate 73.99
    tetrachloromethane 51.29
    n-pentyl acetate 100.16
    transcutol 150.08
    n-heptanol 63.73
    ethylbenzene 67.93
    MIBK 89.34
    2-propoxyethanol 150.26
    tert-butanol 97.8
    MTBE 59.82
    2-butoxyethanol 102.22
    propionic acid 70.22
    o-xylene 75.42
    formic acid 22.61
    diethyl ether 49.33
    m-xylene 92.95
    p-xylene 93.88
    chlorobenzene 148.0
    dimethyl carbonate 51.16
    n-octane 3.67
    formamide 35.31
    cyclopentanone 279.56
    2-pentanone 104.71
    anisole 108.07
    cyclopentyl methyl ether 115.14
    gamma-butyrolactone 247.34
    1-methoxy-2-propanol 133.82
    pyridine 241.16
    3-pentanone 75.91
    furfural 224.45
    n-dodecane 5.18
    diethylene glycol 104.36
    diisopropyl ether 23.65
    tert-amyl alcohol 70.5
    acetylacetone 121.63
    n-hexadecane 6.15
    acetophenone 115.74
    methyl propionate 78.08
    isopentyl acetate 109.86
    trichloroethylene 260.91
    n-nonanol 60.44
    cyclohexanol 108.55
    benzyl alcohol 116.68
    2-ethylhexanol 61.38
    isooctanol 56.12
    dipropyl ether 41.16
    1,2-dichlorobenzene 128.35
    ethyl lactate 55.73
    propylene carbonate 148.74
    n-methylformamide 78.26
    2-pentanol 64.15
    n-pentane 5.02
    1-propoxy-2-propanol 113.11
    1-methoxy-2-propyl acetate 118.99
    2-(2-methoxypropoxy) propanol 100.88
    mesitylene 54.03
    ε-caprolactone 173.98
    p-cymene 48.72
    epichlorohydrin 225.46
    1,1,1-trichloroethane 136.17
    2-aminoethanol 41.08
    morpholine-4-carbaldehyde 207.02
    sulfolane 206.26
    2,2,4-trimethylpentane 5.13
    2-methyltetrahydrofuran 187.63
    n-hexyl acetate 128.01
    isooctane 5.35
    2-(2-butoxyethoxy)ethanol 113.0
    sec-butyl acetate 62.77
    tert-butyl acetate 77.62
    decalin 9.62
    glycerin 48.95
    diglyme 175.12
    acrylic acid 61.66
    isopropyl myristate 56.37
    n-butyric acid 109.46
    acetyl acetate 70.07
    di(2-ethylhexyl) phthalate 74.86
    ethyl propionate 64.68
    nitromethane 99.09
    1,2-diethoxyethane 71.18
    benzonitrile 151.11
    trioctyl phosphate 56.2
    1-bromopropane 72.07
    gamma-valerolactone 293.18
    n-decanol 46.68
    triethyl phosphate 48.28
    4-methyl-2-pentanol 51.89
    propionitrile 81.14
    vinylene carbonate 157.09
    1,1,2-trichlorotrifluoroethane 135.26
    DMS 100.34
    cumene 48.52
    2-octanol 52.03
    2-hexanone 86.36
    octyl acetate 72.23
    limonene 53.68
    1,2-dimethoxyethane 138.73
    ethyl orthosilicate 46.46
    tributyl phosphate 58.14
    diacetone alcohol 99.16
    N,N-dimethylaniline 79.68
    acrylonitrile 97.89
    aniline 121.99
    1,3-propanediol 75.14
    bromobenzene 156.68
    dibromomethane 150.86
    1,1,2,2-tetrachloroethane 201.33
    2-methyl-cyclohexyl acetate 90.45
    tetrabutyl urea 76.75
    diisobutyl methanol 39.5
    2-phenylethanol 136.79
    styrene 73.99
    dioctyl adipate 74.32
    dimethyl sulfate 72.22
    ethyl butyrate 71.36
    methyl lactate 61.19
    butyl lactate 90.78
    diethyl carbonate 54.48
    propanediol butyl ether 96.29
    triethyl orthoformate 61.27
    p-tert-butyltoluene 45.9
    methyl 4-tert-butylbenzoate 112.13
    morpholine 194.34
    tert-butylamine 51.3
    n-dodecanol 35.48
    dimethoxymethane 126.4
    ethylene carbonate 126.73
    cyrene 120.02
    2-ethoxyethyl acetate 113.19
    2-ethylhexyl acetate 93.32
    1,2,4-trichlorobenzene 154.78
    4-methylpyridine 226.26
    dibutyl ether 43.67
    2,6-dimethyl-4-heptanol 39.5
    DEF 92.68
    dimethyl isosorbide 175.52
    tetrachloroethylene 125.51
    eugenol 117.35
    triacetin 108.69
    span 80 104.25
    1,4-butanediol 38.9
    1,1-dichloroethane 129.06
    2-methyl-1-pentanol 67.95
    methyl formate 71.6
    2-methyl-1-butanol 79.35
    n-decane 7.82
    butyronitrile 90.07
    3,7-dimethyl-1-octanol 64.84
    1-chlorooctane 37.27
    1-chlorotetradecane 17.7
    n-nonane 6.13
    undecane 6.22
    tert-butylcyclohexane 9.17
    cyclooctane 4.59
    cyclopentanol 123.23
    tetrahydropyran 171.65
    tert-amyl methyl ether 47.85
    2,5,8-trioxanonane 133.87
    1-hexene 20.27
    2-isopropoxyethanol 69.05
    2,2,2-trifluoroethanol 35.58
    methyl butyrate 87.49

    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
Curcuma aeruginosa (Indonesia) Curcuma aeruginosa Roxb., fam. Zingiberaceae 8.5%
Curcuma heyneana (Indonesia) Curcuma heyneana Val., fam. Zingiberaceae 7.4%
Curcuma aeruginosa (Malaysia) 1 Curcuma aeruginosa Roxb., fam. Zingiberaceae 5.8%