Dexanabinol

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  • Identifiers

    CAS number
    112924-45-5

    Molecular formula
    C25H38O3

    SMILES
    CCCCCCC(C)(C)C1=CC(=C2[C@H]3CC(=CC[C@@H]3C(OC2=C1)(C)C)CO)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 48.17%
    Spicy 41.74%
    Balsamic 36.86%
    Amber 35.77%
    Sweet 34.63%
    Musk 34.2%
    Dry 31.37%
    Animal 30.69%
    Floral 27.77%
    Powdery 27.2%

     

    Flavor
    Woody 47.4%
    Herbal 36.3%
    Spice 33.28%
    Bitter 27.96%
    Wood 27.65%
    Spicy 25.04%
    Mild 24.11%
    Camphor 24.0%
    Balsam 22.37%
    Warm 22.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    8.9 (weak base)

    Molecular weight
    386.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    719°C

    Flash point

    • 238.68 ˚C est.

  • Synonyms

    • Dexanabinol
    • 112924-45-5
    • HU-211
    • HU 211
    • Sinnabidol
    • 11-OH-delta(8)-Thc-dmh
    • 11-Hydroxy-delta-8-dmh-thc
    • 1,1-Dimethylheptyl-11-hydroxytetrahydrocannabinol
    • 5'(1,1-Dimethylheptyl)-7-hydroxyhexahydrocannabinol
    • 7-Hydroxy-delta-6-tetrahydrocannabinoldimethylheptyl
    • R6VT8U5372
    • 11-Hydroxy-delta(8)-tetrahydrocannabinol-dimethylheptyl
    • 1,1-Dimethylheptyl-7-hydroxy-delta(6)-tetrahydrocannabinol
    • 11-Hydroxymethyl-delta(8)-tetrahydrocannabinol-dimethylheptyl
    • PRS-211007
    • PA-50211
    • PRS-211007-000
    • (+)-HU-210
    • DTXSID40150235
    • 6H-Dibenzo(b,d)pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aS-trans)-
    • RefChem:132380
    • DTXCID0072726
    • (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6H,6aH,7H,10H,10aH-benzo(c)isochromen-1-ol
    • 11-oh-thc
    • Sinnabidiol
    • (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
    • CHEMBL334533
    • PRS 211007-000
    • UNII-R6VT8U5372
    • 6H-DIBENZO(B,D)PYRAN-9-METHANOL, 3-(1,1-DIMETHYLHEPTYL)-6A,7,10,10A-TETRAHYDRO-1-HYDROXY-6,6-DIMETHYL-, (6AS,10AS)-
    • 6H-Dibenzo[b,d]pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aS,10aS)-
    • DEXANABINOL [MI]
    • SINNABIDOL [WHO-DD]
    • (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
    • SCHEMBL1649687
    • SCHEMBL29358335
    • CHEBI:230837
    • GLXC-05794
    • MEA92445
    • BDBM50067498
    • PDSP2_000937
    • AKOS015967265
    • DB06444
    • DA-62805
    • HY-106387
    • CS-0025698
    • NS00069217
    • 924D455
    • Q962504
    • (6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
    • (6AS,10AS)-9-(HYDROXYMETHYL)-6,6-DIMETHYL-3-(2-METHYLOCTAN-2-YL)- 6A,7,10,10A-TETRAHYDROBENZO(C)CHROMEN-1-OL
    • (6aS,10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
    • (6aS,7S)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
    • 112924-45-5

  • Applications

    Dexanabinol is mainly used in pharmaceutical research as a neuroprotective NMDA receptor antagonist candidate under investigation for traumatic brain injury and other acute neurological conditions. In medicinal chemistry, it often serves as a scaffold or intermediate for developing related cannabinoid ligands to study structure-activity relationships and optimize potency. In academic research, Dexanabinol is employed as a chemical probe to explore NMDA antagonism and neuroinflammatory effects. Its use is limited to experimental contexts and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.93
    methanol 114.67
    isopropanol 192.65
    water 0.14
    ethyl acetate 340.53
    n-propanol 318.5
    acetone 349.63
    n-butanol 320.75
    acetonitrile 94.19
    DMF 494.93
    toluene 344.38
    isobutanol 246.75
    1,4-dioxane 628.03
    methyl acetate 259.78
    THF 953.58
    2-butanone 404.19
    n-pentanol 213.35
    sec-butanol 216.75
    n-hexane 31.05
    ethylene glycol 16.46
    NMP 473.12
    cyclohexane 79.73
    DMSO 306.75
    n-butyl acetate 313.27
    n-octanol 116.1
    chloroform 849.29
    n-propyl acetate 230.93
    acetic acid 224.59
    dichloromethane 630.1
    cyclohexanone 609.9
    propylene glycol 41.89
    isopropyl acetate 274.42
    DMAc 616.76
    2-ethoxyethanol 286.52
    isopentanol 278.72
    n-heptane 19.77
    ethyl formate 168.5
    1,2-dichloroethane 509.68
    n-hexanol 260.85
    2-methoxyethanol 345.42
    isobutyl acetate 211.6
    tetrachloromethane 120.75
    n-pentyl acetate 277.29
    transcutol 1041.83
    n-heptanol 148.89
    ethylbenzene 126.83
    MIBK 268.43
    2-propoxyethanol 469.26
    tert-butanol 180.87
    MTBE 331.65
    2-butoxyethanol 319.43
    propionic acid 174.19
    o-xylene 164.4
    formic acid 49.91
    diethyl ether 452.19
    m-xylene 193.25
    p-xylene 157.02
    chlorobenzene 335.06
    dimethyl carbonate 162.39
    n-octane 8.29
    formamide 79.45
    cyclopentanone 549.02
    2-pentanone 381.44
    anisole 214.66
    cyclopentyl methyl ether 451.86
    gamma-butyrolactone 475.36
    1-methoxy-2-propanol 315.68
    pyridine 506.1
    3-pentanone 329.77
    furfural 387.49
    n-dodecane 6.56
    diethylene glycol 199.11
    diisopropyl ether 133.99
    tert-amyl alcohol 185.45
    acetylacetone 318.9
    n-hexadecane 8.0
    acetophenone 208.28
    methyl propionate 296.46
    isopentyl acetate 328.02
    trichloroethylene 810.59
    n-nonanol 117.27
    cyclohexanol 291.75
    benzyl alcohol 180.22
    2-ethylhexanol 160.49
    isooctanol 127.07
    dipropyl ether 182.03
    1,2-dichlorobenzene 277.66
    ethyl lactate 118.64
    propylene carbonate 295.74
    n-methylformamide 169.75
    2-pentanol 205.86
    n-pentane 41.57
    1-propoxy-2-propanol 300.55
    1-methoxy-2-propyl acetate 357.34
    2-(2-methoxypropoxy) propanol 239.17
    mesitylene 111.52
    ε-caprolactone 526.65
    p-cymene 80.43
    epichlorohydrin 697.88
    1,1,1-trichloroethane 382.57
    2-aminoethanol 73.75
    morpholine-4-carbaldehyde 591.39
    sulfolane 467.47
    2,2,4-trimethylpentane 23.0
    2-methyltetrahydrofuran 611.32
    n-hexyl acetate 320.25
    isooctane 16.07
    2-(2-butoxyethoxy)ethanol 376.56
    sec-butyl acetate 201.08
    tert-butyl acetate 274.28
    decalin 28.63
    glycerin 68.77
    diglyme 659.23
    acrylic acid 130.49
    isopropyl myristate 118.37
    n-butyric acid 327.59
    acetyl acetate 200.74
    di(2-ethylhexyl) phthalate 123.31
    ethyl propionate 199.05
    nitromethane 249.43
    1,2-diethoxyethane 380.82
    benzonitrile 210.6
    trioctyl phosphate 94.32
    1-bromopropane 371.59
    gamma-valerolactone 824.88
    n-decanol 79.9
    triethyl phosphate 121.48
    4-methyl-2-pentanol 137.11
    propionitrile 175.41
    vinylene carbonate 301.39
    1,1,2-trichlorotrifluoroethane 425.72
    DMS 242.95
    cumene 85.43
    2-octanol 92.41
    2-hexanone 241.58
    octyl acetate 155.73
    limonene 116.08
    1,2-dimethoxyethane 440.99
    ethyl orthosilicate 133.35
    tributyl phosphate 109.48
    diacetone alcohol 251.21
    N,N-dimethylaniline 149.68
    acrylonitrile 163.4
    aniline 288.21
    1,3-propanediol 169.84
    bromobenzene 344.78
    dibromomethane 473.46
    1,1,2,2-tetrachloroethane 723.21
    2-methyl-cyclohexyl acetate 190.02
    tetrabutyl urea 139.25
    diisobutyl methanol 84.06
    2-phenylethanol 214.53
    styrene 152.89
    dioctyl adipate 168.01
    dimethyl sulfate 208.77
    ethyl butyrate 203.39
    methyl lactate 138.29
    butyl lactate 203.97
    diethyl carbonate 142.21
    propanediol butyl ether 213.33
    triethyl orthoformate 193.41
    p-tert-butyltoluene 79.64
    methyl 4-tert-butylbenzoate 210.16
    morpholine 770.04
    tert-butylamine 127.86
    n-dodecanol 55.92
    dimethoxymethane 443.94
    ethylene carbonate 283.54
    cyrene 199.58
    2-ethoxyethyl acetate 383.25
    2-ethylhexyl acetate 279.5
    1,2,4-trichlorobenzene 335.32
    4-methylpyridine 516.01
    dibutyl ether 147.2
    2,6-dimethyl-4-heptanol 84.06
    DEF 405.7
    dimethyl isosorbide 361.39
    tetrachloroethylene 418.89
    eugenol 198.79
    triacetin 256.93
    span 80 204.53
    1,4-butanediol 68.42
    1,1-dichloroethane 452.07
    2-methyl-1-pentanol 214.07
    methyl formate 124.39
    2-methyl-1-butanol 282.55
    n-decane 13.7
    butyronitrile 210.89
    3,7-dimethyl-1-octanol 117.46
    1-chlorooctane 80.38
    1-chlorotetradecane 28.32
    n-nonane 11.32
    undecane 9.0
    tert-butylcyclohexane 22.93
    cyclooctane 24.94
    cyclopentanol 235.7
    tetrahydropyran 806.02
    tert-amyl methyl ether 247.26
    2,5,8-trioxanonane 381.02
    1-hexene 125.61
    2-isopropoxyethanol 230.55
    2,2,2-trifluoroethanol 78.46
    methyl butyrate 244.56

    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