Theanine

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  • Identifiers

    CAS number
    3081-61-6

    Molecular formula
    C7H14N2O3

    SMILES
    CCNC(=O)CC[C@@H](C(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.83%
    Savory 44.6%
    Meaty 38.78%
    Fishy 31.59%
    Sweet 29.9%
    Cooling 24.65%
    Cooked 21.03%
    Cheesy 20.47%
    Cocoa 17.86%
    Roasted 17.68%

     

    Flavor
    Odorless 63.08%
    Mild 33.14%
    Bland 26.89%
    Very mild 24.06%
    Yeast 23.19%
    Sweet-like 22.87%
    Cooked 22.44%
    Faint 22.2%
    Bitter 21.56%
    Sulfury 20.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.6

    pKa est.
    6.65 (neutral)

    Molecular weight
    174.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 174.20
    • 217 - 218 °C

    Boiling point

    • 214-216 °C

    Flash point

    • 189.66 ˚C est.

    Solubility expt.

    • Soluble in 2.6 parts water at 0 °C; soluble in 1.8 parts water at 100 °C
    • Insoluble in ethanol and ether

  • Synonyms

    • L-Theanine
    • Theanine
    • 3081-61-6
    • N-Ethyl-L-glutamine
    • Theanin
    • Suntheanine
    • (S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid
    • N5-Ethyl-L-glutamine
    • CCRIS 7326
    • L-gamma-Glutamylethylamide
    • N(5)-ethyl-L-glutamine
    • N-gamma-Ethyl-L-glutamine
    • EINECS 221-379-0
    • NSC 21308
    • UNII-8021PR16QO
    • (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid
    • HSDB 8166
    • 8021PR16QO
    • THEANINE, L-
    • NSC-21308
    • CHEBI:17394
    • DTXSID80184817
    • L-THEANINE (USP-RS)
    • L-THEANINE [USP-RS]
    • NSC21308
    • MFCD00059653
    • L-Theamine
    • L-Glutamic acid-gamma-ethylamide
    • (+)-Theanine
    • N-Ethyl L-glutamine
    • N?-Ethyl-L-glutamine
    • H-Glu(NHEt)-OH
    • L-glutamic acid gamma-
    • L-Theanine (Standard)
    • THEANINE [MI]
    • THEANINE [VANDF]
    • Spectrum2_001693
    • Spectrum3_001137
    • Spectrum4_001984
    • Spectrum5_000897
    • Glutamine, N-gamma-ethyl-
    • THEANINE [WHO-DD]
    • Glutamine, N-ethyl-, L-
    • BSPBio_002633
    • KBioGR_002514
    • SCHEMBL190716
    • SPECTRUM1505254
    • SPBio_001646
    • L-glutamic acid g-(ethylamide)
    • CHEMBL3039113
    • KBio3_002133
    • L-Glutamic acid ?-(ethylamide)
    • DTXCID20107308
    • L-Theanine, >=98% (HPLC)
    • BCP28252
    • CCG-38778
    • HB0612
    • HY-15121R
    • s3852
    • AKOS016842508
    • DB12444
    • FT28192
    • L-Theanine (Ngamma-ethyl-L-glutamine)
    • SDCCGMLS-0066811.P001
    • NCGC00178565-01
    • AC-23939
    • AS-12265
    • HY-15121
    • CS-0003777
    • NS00019893
    • T0954
    • (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid
    • A11378
    • C01047
    • EN300-1168664
    • (2S)-2-amino-5-(ethylamino)-5-oxopentanoicacid
    • L-Glutamic Acid -ethyl amide;N-Ethyl-L-glutamine
    • Q909931
    • SR-05000002409
    • SR-05000002409-1
    • Z1741979091
    • C6B5A580-D410-4464-ADB8-543860137D4C
    • L-Theanine, United States Pharmacopeia (USP) Reference Standard
    • 221-379-0

  • Applications

    Theanine (CAS 3081-61-6) is used primarily as a nutritional ingredient in dietary supplements and functional foods, including tea-derived products. It also serves as a building block and intermediate in pharmaceutical synthesis and peptide chemistry research. In industrial research and development, theanine can function as a versatile amino acid precursor for the synthesis of peptide-like compounds and related intermediates. In cosmetic and personal care formulations, it has been evaluated as a conditioning or functional additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.06
    methanol 18.58
    isopropanol 0.75
    water 774.22
    ethyl acetate 0.85
    n-propanol 1.07
    acetone 1.32
    n-butanol 1.02
    acetonitrile 0.8
    DMF 80.34
    toluene 0.44
    isobutanol 1.29
    1,4-dioxane 1.69
    methyl acetate 0.66
    THF 4.4
    2-butanone 0.87
    n-pentanol 0.96
    sec-butanol 0.92
    n-hexane 0.23
    ethylene glycol 49.54
    NMP 221.99
    cyclohexane 0.24
    DMSO 242.8
    n-butyl acetate 1.19
    n-octanol 0.6
    chloroform 0.53
    n-propyl acetate 0.76
    acetic acid 81.5
    dichloromethane 0.92
    cyclohexanone 6.63
    propylene glycol 26.01
    isopropyl acetate 0.94
    DMAc 86.7
    2-ethoxyethanol 10.66
    isopentanol 1.72
    n-heptane 0.19
    ethyl formate 3.73
    1,2-dichloroethane 0.8
    n-hexanol 1.19
    2-methoxyethanol 23.95
    isobutyl acetate 0.58
    tetrachloromethane 0.4
    n-pentyl acetate 0.99
    transcutol 27.16
    n-heptanol 0.96
    ethylbenzene 0.4
    MIBK 1.38
    2-propoxyethanol 7.94
    tert-butanol 2.4
    MTBE 0.74
    2-butoxyethanol 5.21
    propionic acid 11.68
    o-xylene 1.09
    formic acid 460.26
    diethyl ether 0.29
    m-xylene 0.79
    p-xylene 0.66
    chlorobenzene 0.54
    dimethyl carbonate 3.1
    n-octane 0.09
    formamide 204.9
    cyclopentanone 9.77
    2-pentanone 0.99
    anisole 1.0
    cyclopentyl methyl ether 2.48
    gamma-butyrolactone 21.87
    1-methoxy-2-propanol 10.53
    pyridine 2.19
    3-pentanone 1.16
    furfural 45.22
    n-dodecane 0.05
    diethylene glycol 29.21
    diisopropyl ether 0.31
    tert-amyl alcohol 3.02
    acetylacetone 4.37
    n-hexadecane 0.05
    acetophenone 2.77
    methyl propionate 1.63
    isopentyl acetate 1.54
    trichloroethylene 1.66
    n-nonanol 0.61
    cyclohexanol 2.58
    benzyl alcohol 2.79
    2-ethylhexanol 0.95
    isooctanol 0.99
    dipropyl ether 0.61
    1,2-dichlorobenzene 1.0
    ethyl lactate 4.17
    propylene carbonate 13.29
    n-methylformamide 30.28
    2-pentanol 0.69
    n-pentane 0.13
    1-propoxy-2-propanol 4.64
    1-methoxy-2-propyl acetate 3.9
    2-(2-methoxypropoxy) propanol 10.39
    mesitylene 0.8
    ε-caprolactone 8.84
    p-cymene 0.64
    epichlorohydrin 5.43
    1,1,1-trichloroethane 0.45
    2-aminoethanol 30.94
    morpholine-4-carbaldehyde 70.53
    sulfolane 116.75
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 2.15
    n-hexyl acetate 1.2
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 10.34
    sec-butyl acetate 0.61
    tert-butyl acetate 1.81
    decalin 0.19
    glycerin 104.76
    diglyme 16.98
    acrylic acid 28.45
    isopropyl myristate 0.52
    n-butyric acid 9.62
    acetyl acetate 2.02
    di(2-ethylhexyl) phthalate 2.8
    ethyl propionate 0.95
    nitromethane 39.06
    1,2-diethoxyethane 1.27
    benzonitrile 1.8
    trioctyl phosphate 1.5
    1-bromopropane 0.23
    gamma-valerolactone 33.27
    n-decanol 0.48
    triethyl phosphate 2.1
    4-methyl-2-pentanol 0.97
    propionitrile 0.61
    vinylene carbonate 12.01
    1,1,2-trichlorotrifluoroethane 35.24
    DMS 3.04
    cumene 0.51
    2-octanol 0.53
    2-hexanone 0.77
    octyl acetate 0.77
    limonene 0.84
    1,2-dimethoxyethane 8.01
    ethyl orthosilicate 1.77
    tributyl phosphate 1.93
    diacetone alcohol 8.09
    N,N-dimethylaniline 2.08
    acrylonitrile 1.82
    aniline 1.66
    1,3-propanediol 15.91
    bromobenzene 0.42
    dibromomethane 0.47
    1,1,2,2-tetrachloroethane 1.7
    2-methyl-cyclohexyl acetate 2.0
    tetrabutyl urea 3.33
    diisobutyl methanol 0.85
    2-phenylethanol 2.31
    styrene 0.37
    dioctyl adipate 1.52
    dimethyl sulfate 20.26
    ethyl butyrate 1.17
    methyl lactate 12.35
    butyl lactate 4.19
    diethyl carbonate 1.06
    propanediol butyl ether 10.37
    triethyl orthoformate 1.64
    p-tert-butyltoluene 0.64
    methyl 4-tert-butylbenzoate 6.33
    morpholine 2.91
    tert-butylamine 1.01
    n-dodecanol 0.38
    dimethoxymethane 5.89
    ethylene carbonate 7.4
    cyrene 24.35
    2-ethoxyethyl acetate 2.27
    2-ethylhexyl acetate 1.14
    1,2,4-trichlorobenzene 1.45
    4-methylpyridine 2.33
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.85
    DEF 7.08
    dimethyl isosorbide 17.67
    tetrachloroethylene 2.13
    eugenol 7.56
    triacetin 4.46
    span 80 9.1
    1,4-butanediol 8.85
    1,1-dichloroethane 0.28
    2-methyl-1-pentanol 1.55
    methyl formate 21.11
    2-methyl-1-butanol 1.79
    n-decane 0.08
    butyronitrile 0.73
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.18
    1-chlorotetradecane 0.1
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.16
    cyclooctane 0.16
    cyclopentanol 3.84
    tetrahydropyran 0.7
    tert-amyl methyl ether 1.16
    2,5,8-trioxanonane 17.09
    1-hexene 0.31
    2-isopropoxyethanol 4.75
    2,2,2-trifluoroethanol 41.77
    methyl butyrate 1.88

    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