Arundoin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4555-56-0

    Molecular formula
    C31H52O

    SMILES
    CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.85%
    Amber 58.37%
    Dry 56.76%
    Cedar 47.56%
    Sandalwood 44.95%
    Vetiver 41.61%
    Spicy 38.22%
    Musk 36.02%
    Balsamic 34.62%
    Sweet 33.62%

     

    Flavor
    Woody 70.41%
    Sweet 63.25%
    Pine 48.64%
    Camphor 46.39%
    Dry 42.95%
    Wood 37.3%
    Balsam 37.16%
    Earthy 35.75%
    Fresh 32.72%
    Fir needle 30.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    6.85 (neutral)

    Molecular weight
    440.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    493°C

    Flash point

    • 216.09 ˚C est.

  • Synonyms

    • Arundoin
    • 4555-56-0
    • (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
    • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3.beta.-methoxy-
    • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3.beta.)-
    • (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta(a)chrysene
    • RefChem:114390
    • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3beta-methoxy-
    • D:C-Friedo-B':A'-neogammacer-9(11)-ene, 3-methoxy-, (3beta)-
    • MRNPHCMRIQYRFU-UHFFFAOYSA-N
    • SCHEMBL3679263
    • CHEBI:80794
    • C16916
    • 555A560
    • Q27149838
    • 4555-56-0

  • Applications

    Arundoin (CAS 4555-56-0) is viewed as a fragrance ingredient that may find use across several industrial applications. In practice, it can serve as an odorant or fragrance component in perfumery and personal care products, and may be evaluated for inclusion in household and cleaning products to impart a pleasant aroma. It may also be considered as a potential intermediate or processing aid in certain industrial manufacturing and chemical synthesis workflows, depending on its chemical properties and formulation limits. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.13
    methanol 3.72
    isopropanol 11.14
    water 0.14
    ethyl acetate 31.5
    n-propanol 19.73
    acetone 24.3
    n-butanol 26.12
    acetonitrile 10.95
    DMF 24.52
    toluene 77.09
    isobutanol 18.83
    1,4-dioxane 50.73
    methyl acetate 18.81
    THF 81.66
    2-butanone 29.93
    n-pentanol 20.71
    sec-butanol 11.07
    n-hexane 5.04
    ethylene glycol 1.15
    NMP 56.21
    cyclohexane 9.07
    DMSO 9.12
    n-butyl acetate 40.15
    n-octanol 16.27
    chloroform 88.71
    n-propyl acetate 26.22
    acetic acid 13.19
    dichloromethane 57.5
    cyclohexanone 63.4
    propylene glycol 2.27
    isopropyl acetate 38.59
    DMAc 45.7
    2-ethoxyethanol 23.43
    isopentanol 28.94
    n-heptane 6.19
    ethyl formate 10.21
    1,2-dichloroethane 36.41
    n-hexanol 29.98
    2-methoxyethanol 20.63
    isobutyl acetate 31.21
    tetrachloromethane 23.98
    n-pentyl acetate 46.31
    transcutol 77.83
    n-heptanol 28.34
    ethylbenzene 29.71
    MIBK 42.48
    2-propoxyethanol 59.05
    tert-butanol 11.96
    MTBE 22.23
    2-butoxyethanol 53.17
    propionic acid 13.13
    o-xylene 41.69
    formic acid 3.26
    diethyl ether 37.45
    m-xylene 62.22
    p-xylene 32.22
    chlorobenzene 56.41
    dimethyl carbonate 17.66
    n-octane 1.72
    formamide 4.61
    cyclopentanone 59.47
    2-pentanone 38.76
    anisole 49.4
    cyclopentyl methyl ether 64.92
    gamma-butyrolactone 49.45
    1-methoxy-2-propanol 29.6
    pyridine 65.1
    3-pentanone 36.36
    furfural 47.34
    n-dodecane 0.95
    diethylene glycol 18.54
    diisopropyl ether 21.74
    tert-amyl alcohol 11.01
    acetylacetone 46.52
    n-hexadecane 1.21
    acetophenone 44.25
    methyl propionate 30.42
    isopentyl acetate 52.08
    trichloroethylene 77.74
    n-nonanol 19.65
    cyclohexanol 25.05
    benzyl alcohol 29.46
    2-ethylhexanol 27.22
    isooctanol 27.0
    dipropyl ether 40.74
    1,2-dichlorobenzene 56.31
    ethyl lactate 14.18
    propylene carbonate 30.87
    n-methylformamide 9.54
    2-pentanol 18.4
    n-pentane 6.52
    1-propoxy-2-propanol 49.14
    1-methoxy-2-propyl acetate 65.62
    2-(2-methoxypropoxy) propanol 39.53
    mesitylene 37.87
    ε-caprolactone 60.23
    p-cymene 28.43
    epichlorohydrin 58.0
    1,1,1-trichloroethane 47.19
    2-aminoethanol 4.83
    morpholine-4-carbaldehyde 61.69
    sulfolane 44.08
    2,2,4-trimethylpentane 4.33
    2-methyltetrahydrofuran 49.81
    n-hexyl acetate 46.36
    isooctane 4.45
    2-(2-butoxyethoxy)ethanol 47.63
    sec-butyl acetate 27.58
    tert-butyl acetate 47.93
    decalin 6.51
    glycerin 4.72
    diglyme 84.31
    acrylic acid 10.74
    isopropyl myristate 20.22
    n-butyric acid 29.59
    acetyl acetate 31.37
    di(2-ethylhexyl) phthalate 24.84
    ethyl propionate 29.19
    nitromethane 18.73
    1,2-diethoxyethane 39.09
    benzonitrile 32.43
    trioctyl phosphate 17.07
    1-bromopropane 30.88
    gamma-valerolactone 89.33
    n-decanol 12.47
    triethyl phosphate 24.06
    4-methyl-2-pentanol 19.88
    propionitrile 20.13
    vinylene carbonate 33.83
    1,1,2-trichlorotrifluoroethane 34.1
    DMS 30.57
    cumene 23.15
    2-octanol 14.64
    2-hexanone 29.34
    octyl acetate 22.99
    limonene 30.46
    1,2-dimethoxyethane 38.38
    ethyl orthosilicate 29.41
    tributyl phosphate 15.97
    diacetone alcohol 35.07
    N,N-dimethylaniline 39.68
    acrylonitrile 17.75
    aniline 44.5
    1,3-propanediol 11.65
    bromobenzene 68.74
    dibromomethane 43.2
    1,1,2,2-tetrachloroethane 59.53
    2-methyl-cyclohexyl acetate 43.92
    tetrabutyl urea 23.38
    diisobutyl methanol 19.58
    2-phenylethanol 47.63
    styrene 32.19
    dioctyl adipate 29.29
    dimethyl sulfate 23.14
    ethyl butyrate 38.02
    methyl lactate 13.99
    butyl lactate 31.68
    diethyl carbonate 23.72
    propanediol butyl ether 23.78
    triethyl orthoformate 41.5
    p-tert-butyltoluene 28.16
    methyl 4-tert-butylbenzoate 60.9
    morpholine 52.09
    tert-butylamine 11.27
    n-dodecanol 8.08
    dimethoxymethane 39.79
    ethylene carbonate 29.37
    cyrene 42.25
    2-ethoxyethyl acetate 58.48
    2-ethylhexyl acetate 47.49
    1,2,4-trichlorobenzene 67.12
    4-methylpyridine 63.4
    dibutyl ether 18.87
    2,6-dimethyl-4-heptanol 19.58
    DEF 39.32
    dimethyl isosorbide 72.17
    tetrachloroethylene 46.41
    eugenol 52.6
    triacetin 46.0
    span 80 34.35
    1,4-butanediol 5.71
    1,1-dichloroethane 33.76
    2-methyl-1-pentanol 23.74
    methyl formate 6.9
    2-methyl-1-butanol 25.37
    n-decane 2.59
    butyronitrile 22.05
    3,7-dimethyl-1-octanol 18.84
    1-chlorooctane 11.94
    1-chlorotetradecane 3.59
    n-nonane 2.1
    undecane 1.47
    tert-butylcyclohexane 5.99
    cyclooctane 5.16
    cyclopentanol 18.1
    tetrahydropyran 57.21
    tert-amyl methyl ether 23.13
    2,5,8-trioxanonane 55.48
    1-hexene 13.99
    2-isopropoxyethanol 24.96
    2,2,2-trifluoroethanol 8.6
    methyl butyrate 27.37

    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