Americine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18867-84-0

    Molecular formula
    C31H39N5O4

    SMILES
    CC(C)[C@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C\C2=CC=C(O1)C=C2)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C(C)C)NC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.27%
    Savory 30.23%
    Roasted 28.01%
    Cooling 26.62%
    Meaty 25.57%
    Cooked 23.55%
    Popcorn 20.13%
    Bitter 19.59%
    Nutty 18.55%
    Burnt 17.82%

     

    Flavor
    Bitter 88.48%
    Odorless 28.43%
    Bland 22.37%
    Cedarleaf 19.99%
    Sweet-like 19.54%
    Nitrile 19.15%
    Lovage 18.25%
    Heather 17.78%
    Parsley 17.69%
    Broom 17.61%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    14.18 (strong base)

    Molecular weight
    545.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1996°C

    Flash point

    • 304.14 ˚C est.

  • Synonyms

    • Americine
    • 18867-84-0
    • DTXSID80415138
    • (2S)-N-[(3S,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
    • (2S)-N-[(2Z,6S,9S,10S)-6-(1H-indol-3-ylmethyl)-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-2-(methylamino)butanamide
    • (2S)-N-((2Z,6S,9S,10S)-6-(1H-indol-3-ylmethyl)-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo(10.2.2)hexadeca-1(14),2,12,15-tetraen-9-yl)-3-methyl-2-(methylamino)butanamide
    • (2S)-N-((3S,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-3-methyl-2-(methylamino)butanamide
    • RefChem:111898
    • DTXCID00365989
    • C09996
    • AC1NQYO1
    • CHEBI:2632
    • SCHEMBL29527509
    • Q27105753
    • N-[(10Z)-7-(1H-Indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
    • N-[(3S,4S,7S,10Z)-7-[(1H-Indol-3-yl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N~2~-methyl-L-valinamide
    • 18867-84-0

  • Applications

    Americine (CAS 18867-84-0) is commonly evaluated as an intermediate in the synthesis of pharmaceutical and agrochemical compounds; it also serves as a building block for specialty chemicals such as dyes and pigments, and it can be used in polymer and plastics chemistry as a reactive intermediate or processing aid; in coatings, inks, and adhesives formulations it may function as a precursor or for chemical modification, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.97
    methanol 65.16
    isopropanol 16.2
    water 0.53
    ethyl acetate 21.95
    n-propanol 26.66
    acetone 28.22
    n-butanol 20.42
    acetonitrile 8.33
    DMF 95.79
    toluene 2.67
    isobutanol 15.33
    1,4-dioxane 20.96
    methyl acetate 31.67
    THF 58.32
    2-butanone 40.89
    n-pentanol 16.93
    sec-butanol 21.65
    n-hexane 0.44
    ethylene glycol 15.51
    NMP 152.96
    cyclohexane 0.27
    DMSO 60.12
    n-butyl acetate 10.96
    n-octanol 4.49
    chloroform 28.66
    n-propyl acetate 13.51
    acetic acid 158.43
    dichloromethane 23.8
    cyclohexanone 41.99
    propylene glycol 28.44
    isopropyl acetate 10.76
    DMAc 187.75
    2-ethoxyethanol 51.53
    isopentanol 12.69
    n-heptane 0.31
    ethyl formate 24.29
    1,2-dichloroethane 13.06
    n-hexanol 8.99
    2-methoxyethanol 84.08
    isobutyl acetate 6.43
    tetrachloromethane 4.13
    n-pentyl acetate 13.25
    transcutol 64.47
    n-heptanol 6.9
    ethylbenzene 1.52
    MIBK 8.3
    2-propoxyethanol 41.69
    tert-butanol 8.63
    MTBE 6.58
    2-butoxyethanol 32.22
    propionic acid 57.49
    o-xylene 1.8
    formic acid 104.85
    diethyl ether 9.19
    m-xylene 1.47
    p-xylene 2.09
    chlorobenzene 5.28
    dimethyl carbonate 23.91
    n-octane 0.19
    formamide 82.66
    cyclopentanone 63.86
    2-pentanone 23.99
    anisole 5.16
    cyclopentyl methyl ether 13.09
    gamma-butyrolactone 83.86
    1-methoxy-2-propanol 53.17
    pyridine 23.89
    3-pentanone 20.31
    furfural 66.72
    n-dodecane 0.13
    diethylene glycol 39.49
    diisopropyl ether 1.56
    tert-amyl alcohol 14.14
    acetylacetone 25.02
    n-hexadecane 0.14
    acetophenone 10.3
    methyl propionate 31.06
    isopentyl acetate 8.68
    trichloroethylene 37.9
    n-nonanol 4.58
    cyclohexanol 11.88
    benzyl alcohol 13.29
    2-ethylhexanol 4.09
    isooctanol 4.67
    dipropyl ether 4.2
    1,2-dichlorobenzene 4.71
    ethyl lactate 16.18
    propylene carbonate 37.47
    n-methylformamide 66.32
    2-pentanol 10.96
    n-pentane 0.45
    1-propoxy-2-propanol 23.08
    1-methoxy-2-propyl acetate 17.45
    2-(2-methoxypropoxy) propanol 21.5
    mesitylene 0.65
    ε-caprolactone 51.98
    p-cymene 0.92
    epichlorohydrin 60.28
    1,1,1-trichloroethane 9.64
    2-aminoethanol 31.51
    morpholine-4-carbaldehyde 97.03
    sulfolane 101.87
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 26.18
    n-hexyl acetate 12.01
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 29.97
    sec-butyl acetate 7.88
    tert-butyl acetate 6.75
    decalin 0.22
    glycerin 53.85
    diglyme 41.65
    acrylic acid 68.94
    isopropyl myristate 2.69
    n-butyric acid 53.39
    acetyl acetate 13.79
    di(2-ethylhexyl) phthalate 6.7
    ethyl propionate 12.3
    nitromethane 115.26
    1,2-diethoxyethane 12.24
    benzonitrile 6.95
    trioctyl phosphate 4.4
    1-bromopropane 6.8
    gamma-valerolactone 118.8
    n-decanol 2.96
    triethyl phosphate 5.55
    4-methyl-2-pentanol 4.24
    propionitrile 9.38
    vinylene carbonate 37.82
    1,1,2-trichlorotrifluoroethane 95.27
    DMS 14.66
    cumene 1.03
    2-octanol 4.09
    2-hexanone 15.82
    octyl acetate 5.67
    limonene 1.46
    1,2-dimethoxyethane 34.96
    ethyl orthosilicate 5.03
    tributyl phosphate 5.16
    diacetone alcohol 20.15
    N,N-dimethylaniline 3.93
    acrylonitrile 15.39
    aniline 9.35
    1,3-propanediol 42.99
    bromobenzene 3.46
    dibromomethane 11.84
    1,1,2,2-tetrachloroethane 28.35
    2-methyl-cyclohexyl acetate 6.61
    tetrabutyl urea 7.14
    diisobutyl methanol 1.55
    2-phenylethanol 9.41
    styrene 1.84
    dioctyl adipate 6.5
    dimethyl sulfate 42.24
    ethyl butyrate 8.13
    methyl lactate 40.62
    butyl lactate 19.91
    diethyl carbonate 5.95
    propanediol butyl ether 30.54
    triethyl orthoformate 7.26
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 12.34
    morpholine 38.18
    tert-butylamine 2.87
    n-dodecanol 1.85
    dimethoxymethane 42.05
    ethylene carbonate 27.61
    cyrene 33.9
    2-ethoxyethyl acetate 26.42
    2-ethylhexyl acetate 6.77
    1,2,4-trichlorobenzene 8.03
    4-methylpyridine 17.53
    dibutyl ether 3.08
    2,6-dimethyl-4-heptanol 1.55
    DEF 39.32
    dimethyl isosorbide 23.83
    tetrachloroethylene 19.84
    eugenol 16.59
    triacetin 18.01
    span 80 20.08
    1,4-butanediol 22.65
    1,1-dichloroethane 11.87
    2-methyl-1-pentanol 13.77
    methyl formate 48.36
    2-methyl-1-butanol 17.87
    n-decane 0.27
    butyronitrile 8.38
    3,7-dimethyl-1-octanol 3.06
    1-chlorooctane 1.39
    1-chlorotetradecane 0.45
    n-nonane 0.23
    undecane 0.18
    tert-butylcyclohexane 0.18
    cyclooctane 0.12
    cyclopentanol 19.96
    tetrahydropyran 14.43
    tert-amyl methyl ether 7.98
    2,5,8-trioxanonane 25.31
    1-hexene 2.18
    2-isopropoxyethanol 28.01
    2,2,2-trifluoroethanol 55.82
    methyl butyrate 18.01

    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