Arborinine

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  • Identifiers

    CAS number
    5489-57-6

    Molecular formula
    C16H15NO4

    SMILES
    CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 52.54%
    Sweet 37.43%
    Spicy 37.23%
    Smoky 34.63%
    Vanilla 33.67%
    Fruity 33.59%
    Burnt 33.17%
    Powdery 31.51%
    Woody 29.89%
    Dry 28.33%

     

    Flavor
    Bitter 90.07%
    Odorless 23.13%
    Bland 21.61%
    Parsley 20.81%
    Cedarleaf 20.07%
    Sweet-like 20.0%
    Eugenol 19.86%
    Lovage 19.75%
    Very strong 19.44%
    Indole 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.99 (neutral)

    Molecular weight
    285.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    633°C

    Melting point expt.

    • 175 - 176 °C

    Flash point

    • 229.67 ˚C est.

  • Synonyms

    • Arborinine
    • 5489-57-6
    • Arborinin
    • 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
    • 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl-
    • 16XG8UE639
    • 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl-
    • NSC-94650
    • NSC-681020
    • 1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone
    • DTXSID60203378
    • 1-HYDROXY-2,3-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
    • RefChem:113735
    • DTXCID60125869
    • Arbornine
    • 1-Hydroxy-2,3-dimethoxy-10-methylacridin-9(10H)-one
    • CHEMBL349609
    • NSC681020
    • 1-Hydroxy-2,3-dimethoxy-10-methylacridone
    • 1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-one
    • 1-hydroxy-2,3-dimethoxy-10-methyl-acridin-9-one
    • NSC 94650
    • NSC 681020
    • UNII-16XG8UE639
    • CHEBI:2804
    • orb1683136
    • SCHEMBL1663913
    • 1-Hydroxy-2,3-dimethoxy-10-methyl-10H-acridin-9-one
    • 9(10H)-acridinone,1-hydroxy-2,3-dimethoxy-10-methyl-
    • ATBZZQPALSPNMF-UHFFFAOYSA-N
    • NSC94650
    • BDBM50049390
    • MFCD00060475
    • 9-Acridanone,3-dimethoxy-10-methyl-
    • AKOS040761369
    • 1-hydroxy-2,3-dimethoxy-N-methylacridone
    • XA163699
    • DS-009297
    • HY-128912
    • 9(10H)-Acridinone,3-dimethoxy-10-methyl-
    • CS-0102112
    • NS00094756
    • 1-hydroxy-2,3-dimethoxy-10-methyl-9-acridone
    • H37313
    • 1-Hydroxy-2,3-dimethoxy-10-methyl-9-Acridanone
    • AK-693/40962737
    • Q27105822
    • 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl- (8CI)
    • 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9CI)
    • 5489-57-6

  • Applications

    Arborinine (CAS 5489-57-6) is commonly used as an intermediate in organic synthesis, providing a versatile building block for downstream pharmaceutical and specialty-chemical development. In the fragrance and cosmetics sectors, it may be explored as an odor-active precursor or formulation component. It can serve as a starting material for polymers and related plastics chemistries, enabling the synthesis of functional monomers or crosslinking agents. For coatings and inks, Arborinine-derived intermediates can contribute to specific chemical functionality within formulations. In pharmaceutical development, it is often evaluated within synthetic routes for target compounds, with use governed by applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.35
    methanol 2.53
    isopropanol 1.47
    water 0.04
    ethyl acetate 7.36
    n-propanol 2.04
    acetone 5.87
    n-butanol 2.07
    acetonitrile 4.2
    DMF 20.05
    toluene 1.33
    isobutanol 1.92
    1,4-dioxane 7.17
    methyl acetate 7.33
    THF 16.36
    2-butanone 6.42
    n-pentanol 2.29
    sec-butanol 1.45
    n-hexane 0.16
    ethylene glycol 3.15
    NMP 32.04
    cyclohexane 0.34
    DMSO 26.63
    n-butyl acetate 8.04
    n-octanol 1.73
    chloroform 16.97
    n-propyl acetate 7.04
    acetic acid 14.89
    dichloromethane 24.6
    cyclohexanone 15.98
    propylene glycol 0.96
    isopropyl acetate 5.1
    DMAc 27.37
    2-ethoxyethanol 8.43
    isopentanol 2.7
    n-heptane 0.28
    ethyl formate 6.21
    1,2-dichloroethane 19.73
    n-hexanol 4.03
    2-methoxyethanol 13.92
    isobutyl acetate 4.93
    tetrachloromethane 4.21
    n-pentyl acetate 6.13
    transcutol 12.41
    n-heptanol 2.98
    ethylbenzene 1.76
    MIBK 4.85
    2-propoxyethanol 14.53
    tert-butanol 2.67
    MTBE 1.82
    2-butoxyethanol 9.32
    propionic acid 5.97
    o-xylene 2.17
    formic acid 11.94
    diethyl ether 2.28
    m-xylene 1.78
    p-xylene 2.69
    chlorobenzene 4.86
    dimethyl carbonate 10.81
    n-octane 0.15
    formamide 19.9
    cyclopentanone 20.6
    2-pentanone 5.52
    anisole 4.17
    cyclopentyl methyl ether 5.83
    gamma-butyrolactone 29.15
    1-methoxy-2-propanol 7.46
    pyridine 10.33
    3-pentanone 5.86
    furfural 33.82
    n-dodecane 0.17
    diethylene glycol 20.67
    diisopropyl ether 0.99
    tert-amyl alcohol 2.62
    acetylacetone 10.84
    n-hexadecane 0.2
    acetophenone 9.38
    methyl propionate 8.73
    isopentyl acetate 8.84
    trichloroethylene 37.53
    n-nonanol 2.02
    cyclohexanol 3.47
    benzyl alcohol 6.07
    2-ethylhexanol 3.73
    isooctanol 2.89
    dipropyl ether 2.76
    1,2-dichlorobenzene 8.79
    ethyl lactate 6.24
    propylene carbonate 16.95
    n-methylformamide 10.85
    2-pentanol 1.34
    n-pentane 0.14
    1-propoxy-2-propanol 7.95
    1-methoxy-2-propyl acetate 12.77
    2-(2-methoxypropoxy) propanol 8.84
    mesitylene 1.42
    ε-caprolactone 15.19
    p-cymene 3.1
    epichlorohydrin 33.27
    1,1,1-trichloroethane 10.55
    2-aminoethanol 3.16
    morpholine-4-carbaldehyde 28.34
    sulfolane 44.9
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 7.77
    n-hexyl acetate 5.69
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 9.27
    sec-butyl acetate 4.66
    tert-butyl acetate 6.34
    decalin 0.43
    glycerin 6.01
    diglyme 20.94
    acrylic acid 9.86
    isopropyl myristate 2.54
    n-butyric acid 7.52
    acetyl acetate 8.42
    di(2-ethylhexyl) phthalate 5.15
    ethyl propionate 6.99
    nitromethane 28.33
    1,2-diethoxyethane 5.01
    benzonitrile 7.81
    trioctyl phosphate 3.68
    1-bromopropane 4.45
    gamma-valerolactone 27.97
    n-decanol 1.6
    triethyl phosphate 7.97
    4-methyl-2-pentanol 1.58
    propionitrile 4.55
    vinylene carbonate 19.16
    1,1,2-trichlorotrifluoroethane 37.82
    DMS 11.17
    cumene 1.98
    2-octanol 1.69
    2-hexanone 6.01
    octyl acetate 3.54
    limonene 3.55
    1,2-dimethoxyethane 14.09
    ethyl orthosilicate 6.67
    tributyl phosphate 4.46
    diacetone alcohol 9.94
    N,N-dimethylaniline 4.58
    acrylonitrile 9.11
    aniline 4.15
    1,3-propanediol 5.24
    bromobenzene 4.38
    dibromomethane 12.3
    1,1,2,2-tetrachloroethane 24.62
    2-methyl-cyclohexyl acetate 8.8
    tetrabutyl urea 6.45
    diisobutyl methanol 2.38
    2-phenylethanol 9.36
    styrene 1.68
    dioctyl adipate 4.9
    dimethyl sulfate 25.28
    ethyl butyrate 6.96
    methyl lactate 8.86
    butyl lactate 5.99
    diethyl carbonate 7.01
    propanediol butyl ether 4.43
    triethyl orthoformate 6.38
    p-tert-butyltoluene 2.52
    methyl 4-tert-butylbenzoate 10.3
    morpholine 8.93
    tert-butylamine 1.4
    n-dodecanol 1.24
    dimethoxymethane 13.08
    ethylene carbonate 14.49
    cyrene 14.95
    2-ethoxyethyl acetate 10.2
    2-ethylhexyl acetate 7.6
    1,2,4-trichlorobenzene 11.04
    4-methylpyridine 7.11
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 2.38
    DEF 10.81
    dimethyl isosorbide 21.27
    tetrachloroethylene 23.93
    eugenol 11.59
    triacetin 8.37
    span 80 6.18
    1,4-butanediol 2.42
    1,1-dichloroethane 7.13
    2-methyl-1-pentanol 3.12
    methyl formate 11.02
    2-methyl-1-butanol 2.37
    n-decane 0.24
    butyronitrile 3.85
    3,7-dimethyl-1-octanol 2.18
    1-chlorooctane 1.35
    1-chlorotetradecane 0.68
    n-nonane 0.18
    undecane 0.2
    tert-butylcyclohexane 0.31
    cyclooctane 0.15
    cyclopentanol 4.15
    tetrahydropyran 4.56
    tert-amyl methyl ether 2.29
    2,5,8-trioxanonane 15.17
    1-hexene 0.71
    2-isopropoxyethanol 6.22
    2,2,2-trifluoroethanol 16.68
    methyl butyrate 8.72

    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