Arborine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6873-15-0

    Molecular formula
    C16H14N2O

    SMILES
    CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Floral 58.07%
    Animal 41.2%
    Neroli 39.65%
    Grape 34.63%
    Sweet 34.25%
    Honey 32.94%
    Fruity 31.85%
    Orange 29.1%
    Powdery 26.38%
    Bitter 26.13%

     

    Flavor
    Bitter 86.26%
    Very strong 21.09%
    Nitrile 20.62%
    Indole 20.57%
    Odorless 20.34%
    Cedarleaf 20.17%
    Moth ball 19.73%
    Butyric 19.65%
    Orange flower 19.63%
    Heather 19.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.01 (neutral)

    Molecular weight
    250.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    530°C

    Melting point expt.

    • 161 - 162 °C

    Flash point

    • 204.03 ˚C est.

  • Synonyms

    • Arborine
    • 6873-15-0
    • Glycosine
    • Glycosin
    • 2-benzyl-1-methylquinazolin-4-one
    • D5JUH3HNWF
    • 2-benzyl-1-methyl-1,4-dihydroquinazolin-4-one
    • 1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinone
    • NSC-127745
    • DTXSID10218856
    • RefChem:113734
    • DTXCID60141347
    • 2-Benzyl-1-methylquinazolin-4(1H)-one
    • Arborin
    • Arborin; Glycosin; Glycosine
    • 4(1H)-Quinazolinone, 2-benzyl-1-methyl-
    • MLS002919960
    • 2-BENZYL-1-METHYL-QUINAZOLIN-4-ONE
    • 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)-
    • UNII-D5JUH3HNWF
    • 2-benzyl-1-methylquinazol-4-one
    • NSC 127745
    • GLYCOSINE [MI]
    • CHEBI:2803
    • CHEMBL448122
    • orb1299131
    • SCHEMBL1150473
    • SCHEMBL29684636
    • GAA87315
    • HY-N7004
    • MFCD28041094
    • NSC127745
    • AKOS024258266
    • EBC-616648
    • 2-Benzyl-1-methyl-4(1H)-Quinazolinone
    • MS-23544
    • SMR001797559
    • 1-Methyl-2-(phenylmethyl)quinazolin-4-one
    • DB-202799
    • CS-0101513
    • NS00094628
    • G14359
    • 4(1H)-Quinazolinone, 2-benzyl-1-methyl- (8CI)
    • Q27105821
    • 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- (9CI)
    • 6873-15-0

  • Applications

    Arborine (CAS 6873-15-0) is typically used as an organic synthesis intermediate and processing reagent in industrial manufacture, where it can function as a solvent or co-solvent in selected reactions; in perfumery and cosmetics it is regarded as a fragrance precursor or aroma-bearing component, potentially serving as a scent ingredient or fixative in formulations; it can also act as a reactive intermediate in coatings, inks, and plastics resin chemistries, enabling formulation customization; and it is commonly evaluated for use in pharmaceutical or agrochemical synthesis under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.11
    methanol 8.42
    isopropanol 4.85
    water 0.02
    ethyl acetate 10.68
    n-propanol 8.48
    acetone 20.42
    n-butanol 8.01
    acetonitrile 10.48
    DMF 75.67
    toluene 16.68
    isobutanol 7.31
    1,4-dioxane 41.28
    methyl acetate 15.32
    THF 77.66
    2-butanone 24.58
    n-pentanol 8.23
    sec-butanol 5.0
    n-hexane 0.3
    ethylene glycol 2.49
    NMP 42.18
    cyclohexane 0.52
    DMSO 59.88
    n-butyl acetate 16.18
    n-octanol 2.37
    chloroform 100.68
    n-propyl acetate 14.61
    acetic acid 18.76
    dichloromethane 147.2
    cyclohexanone 46.84
    propylene glycol 1.82
    isopropyl acetate 9.37
    DMAc 76.8
    2-ethoxyethanol 18.88
    isopentanol 10.15
    n-heptane 0.45
    ethyl formate 11.62
    1,2-dichloroethane 131.83
    n-hexanol 9.79
    2-methoxyethanol 27.77
    isobutyl acetate 11.78
    tetrachloromethane 4.16
    n-pentyl acetate 10.66
    transcutol 71.37
    n-heptanol 5.56
    ethylbenzene 8.38
    MIBK 14.49
    2-propoxyethanol 26.13
    tert-butanol 7.16
    MTBE 5.9
    2-butoxyethanol 17.59
    propionic acid 10.29
    o-xylene 8.65
    formic acid 9.84
    diethyl ether 8.82
    m-xylene 9.24
    p-xylene 13.0
    chlorobenzene 30.05
    dimethyl carbonate 11.68
    n-octane 0.25
    formamide 23.48
    cyclopentanone 64.07
    2-pentanone 16.85
    anisole 15.12
    cyclopentyl methyl ether 18.69
    gamma-butyrolactone 58.5
    1-methoxy-2-propanol 15.73
    pyridine 71.1
    3-pentanone 15.85
    furfural 68.91
    n-dodecane 0.29
    diethylene glycol 22.85
    diisopropyl ether 2.47
    tert-amyl alcohol 6.36
    acetylacetone 25.4
    n-hexadecane 0.34
    acetophenone 22.2
    methyl propionate 12.69
    isopentyl acetate 16.91
    trichloroethylene 204.38
    n-nonanol 3.04
    cyclohexanol 8.1
    benzyl alcohol 17.59
    2-ethylhexanol 7.22
    isooctanol 5.64
    dipropyl ether 7.63
    1,2-dichlorobenzene 27.37
    ethyl lactate 8.24
    propylene carbonate 25.45
    n-methylformamide 22.97
    2-pentanol 4.09
    n-pentane 0.23
    1-propoxy-2-propanol 15.08
    1-methoxy-2-propyl acetate 19.47
    2-(2-methoxypropoxy) propanol 18.12
    mesitylene 4.81
    ε-caprolactone 29.4
    p-cymene 6.34
    epichlorohydrin 133.94
    1,1,1-trichloroethane 31.08
    2-aminoethanol 5.66
    morpholine-4-carbaldehyde 51.58
    sulfolane 69.51
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 30.33
    n-hexyl acetate 9.28
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 22.53
    sec-butyl acetate 10.24
    tert-butyl acetate 11.37
    decalin 0.74
    glycerin 6.04
    diglyme 52.89
    acrylic acid 13.4
    isopropyl myristate 5.31
    n-butyric acid 14.41
    acetyl acetate 9.66
    di(2-ethylhexyl) phthalate 9.25
    ethyl propionate 11.88
    nitromethane 38.49
    1,2-diethoxyethane 19.96
    benzonitrile 23.08
    trioctyl phosphate 5.07
    1-bromopropane 25.42
    gamma-valerolactone 74.23
    n-decanol 2.65
    triethyl phosphate 10.35
    4-methyl-2-pentanol 4.63
    propionitrile 13.27
    vinylene carbonate 30.49
    1,1,2-trichlorotrifluoroethane 50.81
    DMS 16.04
    cumene 6.13
    2-octanol 2.81
    2-hexanone 18.95
    octyl acetate 6.39
    limonene 6.35
    1,2-dimethoxyethane 46.49
    ethyl orthosilicate 9.78
    tributyl phosphate 6.67
    diacetone alcohol 17.28
    N,N-dimethylaniline 12.42
    acrylonitrile 23.61
    aniline 20.55
    1,3-propanediol 10.42
    bromobenzene 29.82
    dibromomethane 67.0
    1,1,2,2-tetrachloroethane 120.18
    2-methyl-cyclohexyl acetate 15.42
    tetrabutyl urea 10.28
    diisobutyl methanol 5.2
    2-phenylethanol 19.59
    styrene 9.51
    dioctyl adipate 9.84
    dimethyl sulfate 24.42
    ethyl butyrate 13.44
    methyl lactate 7.89
    butyl lactate 10.03
    diethyl carbonate 11.31
    propanediol butyl ether 8.0
    triethyl orthoformate 11.35
    p-tert-butyltoluene 5.29
    methyl 4-tert-butylbenzoate 18.57
    morpholine 40.93
    tert-butylamine 3.81
    n-dodecanol 2.25
    dimethoxymethane 36.72
    ethylene carbonate 22.28
    cyrene 22.38
    2-ethoxyethyl acetate 20.1
    2-ethylhexyl acetate 14.08
    1,2,4-trichlorobenzene 33.34
    4-methylpyridine 43.4
    dibutyl ether 4.91
    2,6-dimethyl-4-heptanol 5.2
    DEF 21.73
    dimethyl isosorbide 39.08
    tetrachloroethylene 74.05
    eugenol 21.61
    triacetin 13.95
    span 80 12.02
    1,4-butanediol 4.54
    1,1-dichloroethane 42.86
    2-methyl-1-pentanol 10.53
    methyl formate 18.49
    2-methyl-1-butanol 8.46
    n-decane 0.39
    butyronitrile 12.43
    3,7-dimethyl-1-octanol 4.35
    1-chlorooctane 2.35
    1-chlorotetradecane 1.39
    n-nonane 0.29
    undecane 0.33
    tert-butylcyclohexane 0.73
    cyclooctane 0.17
    cyclopentanol 9.62
    tetrahydropyran 28.69
    tert-amyl methyl ether 5.94
    2,5,8-trioxanonane 34.3
    1-hexene 3.05
    2-isopropoxyethanol 14.61
    2,2,2-trifluoroethanol 10.67
    methyl butyrate 17.41

    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