Damascenine

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  • Identifiers

    CAS number
    483-64-7

    Molecular formula
    C10H13NO3

    SMILES
    CNC1=C(C=CC=C1OC)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.1%
    Fruity 58.81%
    Grape 55.16%
    Floral 53.93%
    Vanilla 36.38%
    Powdery 31.64%
    Neroli 27.55%
    Orange 26.27%
    Berry 25.25%
    Winey 24.38%

     

    Flavor
    Fruity 63.59%
    Grape 36.44%
    Bitter 36.25%
    Sweet 28.52%
    Powdery 27.79%
    Floral 26.27%
    Orange flower 22.29%
    Orange 22.23%
    Wine 22.05%
    Orange blossom 21.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.67 (weak acid)

    Molecular weight
    195.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point

    • 136.73 ˚C est.

  • Synonyms

    • Damascenine
    • methyl 3-methoxy-2-(methylamino)benzoate
    • 483-64-7
    • Nigelline
    • 2TU4DLG5R3
    • 3-Methoxy-2-(methylamino)benzoic acid methyl ester
    • DTXSID60197480
    • RefChem:130836
    • DTXCID70119971
    • Benzoic acid, 3-methoxy-2-(methylamino)-, methyl ester
    • MFCD05663694
    • METHYLDAMASCENINE
    • UNII-2TU4DLG5R3
    • AC1L2I6J
    • Damascenin
    • DAMASCENINE [MI]
    • 2-(methylamino)-m-anisic acid methyl ester
    • SureCN2684575
    • CHEBI:4311
    • SCHEMBL2684575
    • SCHEMBL29453820
    • 5296-80-0 (hydrochloride)
    • AKOS006292969
    • methyl3-methoxy-2-(methylamino)benzoate
    • DB-351966
    • G11079
    • METHYL 2-(METHYLAMINO)-3-METHOXYBENZOATE
    • Q1158234
    • M-ANISIC ACID, 2-(METHYLAMINO)-, METHYL ESTER
    • 483-64-7

  • Applications

    Damascenine (CAS 483-64-7) is primarily encountered as an odorant and fragrance intermediate, and may be used in perfumery to contribute specific notes or to serve as a synthesis precursor for other aroma compounds. It can be evaluated for use in cosmetics and personal care as a scent ingredient, and may also find applications in flavor formulations for food-related products where permitted. In household products such as cleaners and air fresheners, it may serve as a fragrance additive. In industrial manufacturing, it may function as an intermediate for synthesizing related aromatics; and in polymers, plastics, coatings or inks, it may be used as an odorant additive or processing aid subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.15
    methanol 92.02
    isopropanol 39.16
    water 1.59
    ethyl acetate 69.41
    n-propanol 44.84
    acetone 103.22
    n-butanol 37.88
    acetonitrile 85.16
    DMF 243.86
    toluene 32.61
    isobutanol 32.0
    1,4-dioxane 170.85
    methyl acetate 91.69
    THF 150.46
    2-butanone 70.89
    n-pentanol 35.71
    sec-butanol 32.23
    n-hexane 1.72
    ethylene glycol 91.87
    NMP 175.08
    cyclohexane 5.86
    DMSO 231.94
    n-butyl acetate 41.13
    n-octanol 23.47
    chloroform 270.46
    n-propyl acetate 47.88
    acetic acid 144.9
    dichloromethane 321.01
    cyclohexanone 123.73
    propylene glycol 32.17
    isopropyl acetate 37.67
    DMAc 157.91
    2-ethoxyethanol 112.78
    isopentanol 32.23
    n-heptane 2.87
    ethyl formate 95.64
    1,2-dichloroethane 183.71
    n-hexanol 36.44
    2-methoxyethanol 187.44
    isobutyl acetate 28.98
    tetrachloromethane 45.33
    n-pentyl acetate 34.69
    transcutol 75.75
    n-heptanol 26.61
    ethylbenzene 24.58
    MIBK 33.77
    2-propoxyethanol 89.64
    tert-butanol 57.64
    MTBE 34.92
    2-butoxyethanol 60.73
    propionic acid 69.82
    o-xylene 33.32
    formic acid 103.8
    diethyl ether 37.61
    m-xylene 26.86
    p-xylene 33.05
    chlorobenzene 74.08
    dimethyl carbonate 65.87
    n-octane 2.26
    formamide 158.1
    cyclopentanone 158.57
    2-pentanone 51.61
    anisole 56.29
    cyclopentyl methyl ether 54.72
    gamma-butyrolactone 226.86
    1-methoxy-2-propanol 89.42
    pyridine 135.26
    3-pentanone 47.25
    furfural 233.55
    n-dodecane 2.61
    diethylene glycol 120.78
    diisopropyl ether 11.4
    tert-amyl alcohol 43.89
    acetylacetone 83.08
    n-hexadecane 3.07
    acetophenone 70.41
    methyl propionate 72.72
    isopentyl acetate 39.47
    trichloroethylene 351.77
    n-nonanol 22.2
    cyclohexanol 48.23
    benzyl alcohol 72.09
    2-ethylhexanol 25.8
    isooctanol 22.95
    dipropyl ether 19.62
    1,2-dichlorobenzene 82.97
    ethyl lactate 42.14
    propylene carbonate 120.04
    n-methylformamide 164.82
    2-pentanol 22.04
    n-pentane 1.89
    1-propoxy-2-propanol 46.35
    1-methoxy-2-propyl acetate 50.25
    2-(2-methoxypropoxy) propanol 41.71
    mesitylene 19.52
    ε-caprolactone 106.18
    p-cymene 19.03
    epichlorohydrin 238.75
    1,1,1-trichloroethane 128.59
    2-aminoethanol 74.09
    morpholine-4-carbaldehyde 183.33
    sulfolane 268.47
    2,2,4-trimethylpentane 2.83
    2-methyltetrahydrofuran 82.02
    n-hexyl acetate 42.41
    isooctane 1.93
    2-(2-butoxyethoxy)ethanol 51.78
    sec-butyl acetate 28.23
    tert-butyl acetate 41.03
    decalin 5.44
    glycerin 85.95
    diglyme 110.05
    acrylic acid 92.54
    isopropyl myristate 18.19
    n-butyric acid 79.07
    acetyl acetate 61.17
    di(2-ethylhexyl) phthalate 27.86
    ethyl propionate 42.42
    nitromethane 241.8
    1,2-diethoxyethane 35.74
    benzonitrile 78.43
    trioctyl phosphate 20.62
    1-bromopropane 46.55
    gamma-valerolactone 199.35
    n-decanol 17.7
    triethyl phosphate 31.63
    4-methyl-2-pentanol 15.87
    propionitrile 59.68
    vinylene carbonate 136.43
    1,1,2-trichlorotrifluoroethane 215.46
    DMS 52.27
    cumene 20.42
    2-octanol 17.47
    2-hexanone 41.54
    octyl acetate 25.26
    limonene 23.96
    1,2-dimethoxyethane 140.91
    ethyl orthosilicate 28.12
    tributyl phosphate 20.85
    diacetone alcohol 58.0
    N,N-dimethylaniline 45.31
    acrylonitrile 105.6
    aniline 64.75
    1,3-propanediol 90.67
    bromobenzene 70.2
    dibromomethane 161.52
    1,1,2,2-tetrachloroethane 236.04
    2-methyl-cyclohexyl acetate 40.85
    tetrabutyl urea 30.36
    diisobutyl methanol 16.1
    2-phenylethanol 61.02
    styrene 28.85
    dioctyl adipate 30.77
    dimethyl sulfate 111.72
    ethyl butyrate 35.67
    methyl lactate 60.04
    butyl lactate 30.86
    diethyl carbonate 33.39
    propanediol butyl ether 41.34
    triethyl orthoformate 30.25
    p-tert-butyltoluene 18.63
    methyl 4-tert-butylbenzoate 55.54
    morpholine 146.12
    tert-butylamine 29.97
    n-dodecanol 14.16
    dimethoxymethane 145.27
    ethylene carbonate 106.05
    cyrene 77.76
    2-ethoxyethyl acetate 46.9
    2-ethylhexyl acetate 32.28
    1,2,4-trichlorobenzene 95.63
    4-methylpyridine 96.14
    dibutyl ether 18.64
    2,6-dimethyl-4-heptanol 16.1
    DEF 82.16
    dimethyl isosorbide 82.66
    tetrachloroethylene 190.12
    eugenol 62.54
    triacetin 48.3
    span 80 36.09
    1,4-butanediol 46.11
    1,1-dichloroethane 114.76
    2-methyl-1-pentanol 32.44
    methyl formate 178.38
    2-methyl-1-butanol 29.77
    n-decane 3.75
    butyronitrile 53.86
    3,7-dimethyl-1-octanol 20.74
    1-chlorooctane 17.53
    1-chlorotetradecane 8.3
    n-nonane 3.26
    undecane 3.07
    tert-butylcyclohexane 4.65
    cyclooctane 2.37
    cyclopentanol 60.77
    tetrahydropyran 78.81
    tert-amyl methyl ether 30.71
    2,5,8-trioxanonane 73.75
    1-hexene 8.59
    2-isopropoxyethanol 64.91
    2,2,2-trifluoroethanol 94.73
    methyl butyrate 60.16

    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