Melatonin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    73-31-4

    Molecular formula
    C13H16N2O2

    SMILES
    CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Meaty 43.1%
    Odorless 40.15%
    Savory 38.86%
    Roasted 33.97%
    Cooked 30.17%
    Grape 29.38%
    Burnt 25.84%
    Animal 23.38%
    Milky 22.04%
    Fruity 21.6%

     

    Flavor
    Bitter 57.03%
    Odorless 43.92%
    Mild 33.46%
    Fruity 30.6%
    Bland 24.93%
    Orange flower 21.48%
    Sweet-like 21.15%
    Orange blossom 20.53%
    Very mild 20.12%
    Grape 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.67 (neutral)

    Molecular weight
    232.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    540°C

    Melting point expt.

    • 117 °C
    • 116-118 °C

    Flash point

    • 229.27 ˚C est.

    Solubility expt.

    • In water, 2 g/L at 20 °C; 5 g/L at 50 °C
    • >34.8 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Melatonin
    • 73-31-4
    • Melatonine
    • N-Acetyl-5-methoxytryptamine
    • N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
    • Circadin
    • 5-Methoxy-N-acetyltryptamine
    • N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
    • Melatol
    • Melovine
    • Melapure
    • Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-
    • N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
    • N-acetyl-5-methoxy-tryptamine
    • N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide
    • NSC 113928
    • DTXSID1022421
    • Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-
    • JL5DK93RCL
    • Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-
    • NSC-56423
    • 5-methoxy n-acetyl-tryptamine
    • NSC-113928
    • J5.258B
    • BCI-049
    • NSC113928
    • Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-
    • DTXCID002421
    • CHEBI:16796
    • NSC56423
    • N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
    • somease
    • Heidadouppi
    • Melaxen
    • Travelag
    • Vytalonin
    • Icenia
    • Vespro
    • General nutrit
    • Natures bounty
    • Quality health
    • Health aid
    • Amerix Melatonin
    • Life ext
    • Nature's blend
    • Safrel Melatonin
    • S.gard
    • Melatonin Phenolic
    • Melatonin 1527
    • Therapeutic Melatonin
    • MELATONIN CORD
    • RefChem:5990
    • MAX Sleep Junior Childrens SLEEP AID
    • 200-797-7
    • NSC-302012
    • Regulin
    • 8041-44-9
    • MFCD00005655
    • 3-(n-acetyl-2-aminoethyl)-5-methoxyindole
    • CHEMBL45
    • Melatonex
    • Melatonin (JAN)
    • N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide
    • CAS-73-31-4
    • NCGC00015680-11
    • MELATONIN [JAN]
    • S1204
    • M02088
    • Posidorm
    • Primex
    • WLN: T56 BMJ D2MV1 GO1
    • [3H]melatonin
    • Melatonina (TN)
    • [3H]-melatonin
    • ML1
    • SMR000326666
    • CCRIS 3472
    • N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide
    • N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide
    • SR-01000075559
    • EINECS 200-797-7
    • UNII-JL5DK93RCL
    • BRN 0205542
    • [3H]MLT
    • Melatonine?
    • Guna-dermo
    • Melatonin CRS
    • HSDB 7509
    • Melatobel (TN)
    • TNP00300
    • Prestwick_312
    • Spectrum_000185
    • MELATONIN [DSC]
    • Guna-dermo (Salt/Mix)
    • MELATONIN [MI]
    • MELATONIN [HSDB]
    • Prestwick0_000458
    • Prestwick1_000458
    • Prestwick2_000458
    • Prestwick3_000458
    • Spectrum2_001344
    • Spectrum3_001393
    • Spectrum4_000066
    • Spectrum5_001745
    • Lopac-M-5250
    • MELATONIN [VANDF]
    • M1105
    • ChemDiv2_003916
    • MELATONIN [MART.]
    • M 5250
    • Melatonin, >=99.5%
    • MELATONIN [USP-RS]
    • MELATONIN [WHO-DD]
    • Lopac0_000787
    • Oprea1_104553
    • Oprea1_814234
    • SCHEMBL19018
    • BSPBio_000536
    • BSPBio_003006
    • GTPL224
    • KBioGR_000591
    • KBioSS_000665
    • MELATONIN [EMA EPAR]
    • 5-22-12-00042 (Beilstein Handbook Reference)
    • Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-}
    • MLS000859594
    • MLS001055382
    • 73-31-4

  • Applications

    Melatonin (CAS 73-31-4) is primarily used as an active pharmaceutical ingredient in sleep-related therapies and circadian rhythm research; in cosmetics and personal care it is evaluated as an antioxidant and skin-conditioning active; in agriculture and plant sciences it is studied as a plant growth regulator/biostimulant to enhance stress tolerance and growth; in research and industry it serves as a biochemical reagent or reference standard in chronobiology and related synthetic chemistry, and may function as a precursor for related compounds in chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.98
    methanol 211.77
    isopropanol 41.64
    water 4.62
    ethyl acetate 14.74
    n-propanol 59.31
    acetone 43.91
    n-butanol 40.88
    acetonitrile 15.09
    DMF 925.51
    toluene 0.63
    isobutanol 34.92
    1,4-dioxane 48.8
    methyl acetate 31.43
    THF 104.05
    2-butanone 51.47
    n-pentanol 36.32
    sec-butanol 38.06
    n-hexane 0.14
    ethylene glycol 75.52
    NMP 96.4
    cyclohexane 0.14
    DMSO 214.17
    n-butyl acetate 9.33
    n-octanol 4.05
    chloroform 16.08
    n-propyl acetate 14.15
    acetic acid 126.35
    dichloromethane 16.97
    cyclohexanone 38.17
    propylene glycol 91.58
    isopropyl acetate 7.42
    DMAc 515.07
    2-ethoxyethanol 294.69
    isopentanol 29.89
    n-heptane 0.09
    ethyl formate 32.92
    1,2-dichloroethane 9.17
    n-hexanol 12.99
    2-methoxyethanol 408.19
    isobutyl acetate 10.88
    tetrachloromethane 1.57
    n-pentyl acetate 6.61
    transcutol 163.53
    n-heptanol 5.96
    ethylbenzene 0.95
    MIBK 9.48
    2-propoxyethanol 90.6
    tert-butanol 31.51
    MTBE 8.51
    2-butoxyethanol 36.37
    propionic acid 48.08
    o-xylene 0.83
    formic acid 221.3
    diethyl ether 6.04
    m-xylene 0.65
    p-xylene 2.13
    chlorobenzene 2.75
    dimethyl carbonate 17.54
    n-octane 0.08
    formamide 314.16
    cyclopentanone 64.12
    2-pentanone 18.36
    anisole 9.65
    cyclopentyl methyl ether 9.72
    gamma-butyrolactone 69.87
    1-methoxy-2-propanol 164.15
    pyridine 27.57
    3-pentanone 13.68
    furfural 84.5
    n-dodecane 0.1
    diethylene glycol 135.97
    diisopropyl ether 1.13
    tert-amyl alcohol 29.28
    acetylacetone 22.43
    n-hexadecane 0.11
    acetophenone 15.57
    methyl propionate 23.84
    isopentyl acetate 11.91
    trichloroethylene 24.44
    n-nonanol 4.59
    cyclohexanol 13.0
    benzyl alcohol 25.38
    2-ethylhexanol 5.26
    isooctanol 5.38
    dipropyl ether 3.05
    1,2-dichlorobenzene 3.52
    ethyl lactate 20.23
    propylene carbonate 29.24
    n-methylformamide 261.12
    2-pentanol 11.01
    n-pentane 0.07
    1-propoxy-2-propanol 34.51
    1-methoxy-2-propyl acetate 18.77
    2-(2-methoxypropoxy) propanol 37.23
    mesitylene 0.48
    ε-caprolactone 40.31
    p-cymene 0.9
    epichlorohydrin 89.31
    1,1,1-trichloroethane 4.54
    2-aminoethanol 151.05
    morpholine-4-carbaldehyde 172.18
    sulfolane 77.23
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 35.13
    n-hexyl acetate 8.6
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 50.95
    sec-butyl acetate 8.97
    tert-butyl acetate 8.45
    decalin 0.17
    glycerin 174.73
    diglyme 93.42
    acrylic acid 48.65
    isopropyl myristate 3.49
    n-butyric acid 52.42
    acetyl acetate 8.38
    di(2-ethylhexyl) phthalate 8.25
    ethyl propionate 11.72
    nitromethane 173.44
    1,2-diethoxyethane 21.0
    benzonitrile 11.59
    trioctyl phosphate 4.53
    1-bromopropane 3.22
    gamma-valerolactone 148.08
    n-decanol 3.41
    triethyl phosphate 8.43
    4-methyl-2-pentanol 6.17
    propionitrile 14.79
    vinylene carbonate 27.59
    1,1,2-trichlorotrifluoroethane 103.21
    DMS 13.82
    cumene 0.99
    2-octanol 3.23
    2-hexanone 20.41
    octyl acetate 5.46
    limonene 1.17
    1,2-dimethoxyethane 191.9
    ethyl orthosilicate 7.87
    tributyl phosphate 6.77
    diacetone alcohol 29.43
    N,N-dimethylaniline 6.82
    acrylonitrile 26.75
    aniline 6.96
    1,3-propanediol 180.7
    bromobenzene 1.71
    dibromomethane 6.48
    1,1,2,2-tetrachloroethane 19.09
    2-methyl-cyclohexyl acetate 10.66
    tetrabutyl urea 10.81
    diisobutyl methanol 2.49
    2-phenylethanol 13.72
    styrene 1.23
    dioctyl adipate 8.41
    dimethyl sulfate 35.76
    ethyl butyrate 8.29
    methyl lactate 37.98
    butyl lactate 13.89
    diethyl carbonate 8.2
    propanediol butyl ether 32.1
    triethyl orthoformate 9.13
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 13.77
    morpholine 108.3
    tert-butylamine 6.73
    n-dodecanol 2.43
    dimethoxymethane 97.3
    ethylene carbonate 23.03
    cyrene 43.09
    2-ethoxyethyl acetate 18.28
    2-ethylhexyl acetate 8.32
    1,2,4-trichlorobenzene 5.9
    4-methylpyridine 17.38
    dibutyl ether 3.52
    2,6-dimethyl-4-heptanol 2.49
    DEF 51.34
    dimethyl isosorbide 43.64
    tetrachloroethylene 11.8
    eugenol 23.48
    triacetin 16.02
    span 80 20.32
    1,4-butanediol 92.01
    1,1-dichloroethane 5.85
    2-methyl-1-pentanol 29.0
    methyl formate 107.4
    2-methyl-1-butanol 31.78
    n-decane 0.14
    butyronitrile 15.08
    3,7-dimethyl-1-octanol 4.9
    1-chlorooctane 0.85
    1-chlorotetradecane 0.44
    n-nonane 0.11
    undecane 0.12
    tert-butylcyclohexane 0.15
    cyclooctane 0.05
    cyclopentanol 28.69
    tetrahydropyran 18.18
    tert-amyl methyl ether 8.06
    2,5,8-trioxanonane 62.49
    1-hexene 1.14
    2-isopropoxyethanol 102.99
    2,2,2-trifluoroethanol 51.1
    methyl butyrate 23.01

    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