Arnidiol

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  • Identifiers

    CAS number
    6750-30-7

    Molecular formula
    C30H50O2

    SMILES
    C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CCC1=C)C)O)C)C)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.61%
    Amber 48.28%
    Cedar 46.57%
    Sweet 46.0%
    Dry 45.52%
    Earthy 45.07%
    Balsamic 43.01%
    Sandalwood 42.67%
    Spicy 42.6%
    Camphoreous 42.26%

     

    Flavor
    Woody 71.96%
    Camphor 54.1%
    Sweet 52.79%
    Pine 51.51%
    Herbal 50.21%
    Earthy 49.11%
    Balsam 46.89%
    Spicy 41.07%
    Dry 37.57%
    Earth 36.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.44 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    165°C

    Flash point

    • 232.34 ˚C est.

  • Synonyms

    • Arnidiol
    • Arnidenediol
    • 6750-30-7
    • UNII-B94L6R1Z6C
    • 3beta,16beta-Dihydroxytaraxene
    • B94L6R1Z6C
    • (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylene-docosahydro-picene-3,8-diol
    • RefChem:28282
    • 18alpha,19betaH-URS-20(30)-ENE-3beta,12-DIOL
    • Urs-20(30)-ene-3,16-diol, (3beta,16beta,18alpha,19alpha)-
    • Ainidiol
    • (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
    • Urs-20(30)-ene-3,16-diol, (3.beta.,16.beta.,18.alpha.,19.alpha.)-
    • orb1297551
    • SCHEMBL30673502
    • DTXSID50986880
    • CHEBI:191977
    • HY-N4165
    • AKOS032946454
    • EBC-615756
    • (3S,4aR,6aR,6bR,8S,8aS,12S,12aR,12bR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-docosahydropicene-3,8-diol
    • AC-34790
    • DA-50710
    • MS-27969
    • 3.BETA.,16.BETA.-DIHYDROXYTARAXENE
    • CS-0032290
    • G17029
    • 18alpha,19alpha-Urs-20(30)-ene-3beta,16beta-diol
    • Q27274529
    • (3|A,16|A,18|A,19|A)-Urs-20(30)-ene-3,16-diol
    • 18.ALPHA.,19.BETA.H-URS-20(30)-ENE-3.BETA.,12-DIOL
    • 6750-30-7

  • Applications

    Arnidiol (CAS 6750-30-7) is a natural product constituent that is primarily used in industry as a chemical intermediate or reference standard for natural product and terpene/steroid synthesis, and as an analytical reference for isolation and characterization in natural product chemistry. Its lipophilic terpenoid structure makes it a candidate for exploratory cosmetic and fragrance-related applications at the research level, and it can serve as a building block in synthetic routes. It is also used in academic and industrial settings as an analytical standard to support method development and structural verification. In pharmaceutical research, Arnidiol may be evaluated as a potential lead scaffold for bioactive natural products, though concrete therapeutic claims are not made. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.71
    methanol 3.86
    isopropanol 5.27
    water 0.03
    ethyl acetate 4.9
    n-propanol 7.9
    acetone 5.68
    n-butanol 8.31
    acetonitrile 1.94
    DMF 20.81
    toluene 6.91
    isobutanol 5.41
    1,4-dioxane 16.32
    methyl acetate 3.27
    THF 37.51
    2-butanone 6.2
    n-pentanol 4.7
    sec-butanol 2.85
    n-hexane 0.22
    ethylene glycol 0.77
    NMP 16.11
    cyclohexane 0.22
    DMSO 7.2
    n-butyl acetate 5.91
    n-octanol 4.22
    chloroform 13.83
    n-propyl acetate 3.84
    acetic acid 4.14
    dichloromethane 6.7
    cyclohexanone 10.68
    propylene glycol 1.59
    isopropyl acetate 6.13
    DMAc 16.44
    2-ethoxyethanol 9.63
    isopentanol 6.37
    n-heptane 0.3
    ethyl formate 2.17
    1,2-dichloroethane 4.47
    n-hexanol 5.65
    2-methoxyethanol 14.1
    isobutyl acetate 4.58
    tetrachloromethane 2.49
    n-pentyl acetate 10.22
    transcutol 31.9
    n-heptanol 7.61
    ethylbenzene 2.95
    MIBK 6.89
    2-propoxyethanol 25.38
    tert-butanol 4.58
    MTBE 3.99
    2-butoxyethanol 23.35
    propionic acid 3.32
    o-xylene 3.37
    formic acid 1.57
    diethyl ether 5.15
    m-xylene 5.46
    p-xylene 3.18
    chlorobenzene 6.3
    dimethyl carbonate 4.98
    n-octane 0.12
    formamide 2.45
    cyclopentanone 15.38
    2-pentanone 7.04
    anisole 9.46
    cyclopentyl methyl ether 10.1
    gamma-butyrolactone 12.85
    1-methoxy-2-propanol 19.17
    pyridine 14.69
    3-pentanone 5.02
    furfural 12.86
    n-dodecane 0.05
    diethylene glycol 11.0
    diisopropyl ether 1.84
    tert-amyl alcohol 2.67
    acetylacetone 9.61
    n-hexadecane 0.06
    acetophenone 8.1
    methyl propionate 5.91
    isopentyl acetate 8.45
    trichloroethylene 12.45
    n-nonanol 5.09
    cyclohexanol 3.53
    benzyl alcohol 7.73
    2-ethylhexanol 3.55
    isooctanol 6.49
    dipropyl ether 5.49
    1,2-dichlorobenzene 6.02
    ethyl lactate 3.79
    propylene carbonate 6.29
    n-methylformamide 5.18
    2-pentanol 3.62
    n-pentane 0.25
    1-propoxy-2-propanol 20.34
    1-methoxy-2-propyl acetate 17.03
    2-(2-methoxypropoxy) propanol 14.52
    mesitylene 2.9
    ε-caprolactone 9.64
    p-cymene 2.82
    epichlorohydrin 15.49
    1,1,1-trichloroethane 4.81
    2-aminoethanol 3.17
    morpholine-4-carbaldehyde 24.54
    sulfolane 15.05
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 9.0
    n-hexyl acetate 9.83
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 20.77
    sec-butyl acetate 3.54
    tert-butyl acetate 8.38
    decalin 0.26
    glycerin 3.41
    diglyme 34.54
    acrylic acid 3.16
    isopropyl myristate 3.0
    n-butyric acid 6.71
    acetyl acetate 4.56
    di(2-ethylhexyl) phthalate 6.09
    ethyl propionate 4.13
    nitromethane 6.13
    1,2-diethoxyethane 8.72
    benzonitrile 5.5
    trioctyl phosphate 3.83
    1-bromopropane 2.51
    gamma-valerolactone 28.42
    n-decanol 2.52
    triethyl phosphate 3.98
    4-methyl-2-pentanol 3.52
    propionitrile 3.37
    vinylene carbonate 7.19
    1,1,2-trichlorotrifluoroethane 11.99
    DMS 7.11
    cumene 2.18
    2-octanol 3.5
    2-hexanone 4.8
    octyl acetate 4.16
    limonene 2.67
    1,2-dimethoxyethane 15.49
    ethyl orthosilicate 4.68
    tributyl phosphate 3.14
    diacetone alcohol 10.24
    N,N-dimethylaniline 7.42
    acrylonitrile 4.13
    aniline 7.44
    1,3-propanediol 6.98
    bromobenzene 6.31
    dibromomethane 4.46
    1,1,2,2-tetrachloroethane 9.75
    2-methyl-cyclohexyl acetate 6.86
    tetrabutyl urea 4.78
    diisobutyl methanol 3.0
    2-phenylethanol 11.05
    styrene 3.14
    dioctyl adipate 5.96
    dimethyl sulfate 7.94
    ethyl butyrate 5.27
    methyl lactate 5.51
    butyl lactate 10.64
    diethyl carbonate 3.32
    propanediol butyl ether 14.51
    triethyl orthoformate 6.75
    p-tert-butyltoluene 3.16
    methyl 4-tert-butylbenzoate 17.22
    morpholine 19.4
    tert-butylamine 2.45
    n-dodecanol 1.2
    dimethoxymethane 22.23
    ethylene carbonate 5.66
    cyrene 13.37
    2-ethoxyethyl acetate 15.92
    2-ethylhexyl acetate 6.15
    1,2,4-trichlorobenzene 8.66
    4-methylpyridine 11.97
    dibutyl ether 2.48
    2,6-dimethyl-4-heptanol 3.0
    DEF 7.35
    dimethyl isosorbide 25.06
    tetrachloroethylene 7.27
    eugenol 17.59
    triacetin 10.95
    span 80 12.19
    1,4-butanediol 2.43
    1,1-dichloroethane 3.91
    2-methyl-1-pentanol 3.87
    methyl formate 3.28
    2-methyl-1-butanol 4.7
    n-decane 0.16
    butyronitrile 3.85
    3,7-dimethyl-1-octanol 3.83
    1-chlorooctane 1.17
    1-chlorotetradecane 0.23
    n-nonane 0.14
    undecane 0.08
    tert-butylcyclohexane 0.31
    cyclooctane 0.15
    cyclopentanol 4.32
    tetrahydropyran 9.99
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 20.07
    1-hexene 0.97
    2-isopropoxyethanol 7.6
    2,2,2-trifluoroethanol 2.24
    methyl butyrate 4.58

    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