Betaine

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  • Identifiers

    CAS number
    107-43-7

    Molecular formula
    C5H11NO2

    SMILES
    C[N+](C)(C)CC(=O)[O-]

  • Odor profile

    Fragrance
    Fruity 49.04%
    Cheesy 37.59%
    Sour 31.32%
    Fatty 30.29%
    Sweaty 23.73%
    Pungent 22.68%
    Creamy 21.99%
    Sweet 21.99%
    Dairy 21.56%
    Musk 21.3%

     

    Flavor
    Bland 28.09%
    Odorless 25.73%
    Mild 23.67%
    Stinky 20.08%
    Acrid 19.89%
    Cat-urine 19.21%
    Roquefort cheese 19.06%
    Yeasty 18.94%
    Box tree 18.58%
    Black currant 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    3.75 (weak acid)

    Molecular weight
    117.15 g/mol

    Melting point expt.

    • 301-305°C
    • Decomposes around 293 °C

    Flash point

    • -200.56 ˚C est.

    Solubility expt.

    • Soluble
    • Solubility (g/100 g solvent): methanol, 55; ethanol, 8.7. Sparingly soluble in ether.
    • Slightly soluble in chloroform
    • In water, 6.11X10+5 mg/L at 19 °C
    • Very soluble
    • Soluble (in ethanol)

  • Synonyms

    • betaine
    • 107-43-7
    • glycine betaine
    • oxyneurine
    • Trimethylglycine
    • lycine
    • Abromine
    • Trimethylglycocoll
    • Glycocoll betaine
    • Glycylbetaine
    • BETAINE, ANHYDROUS
    • Rubrine C
    • Jortaine
    • 2-(trimethylazaniumyl)acetate
    • acidin-pepsin
    • alpha-Earleine
    • trimethylammonioacetate
    • N,N,N-trimethylglycine
    • Glycine, trimethylbetaine
    • Loramine AMB 13
    • Betaine anhydrous
    • 2-(Trimethylammonio)Acetate
    • Trimethylaminoacetic acid
    • (Trimethylammonio)acetate
    • Trimethylaminoacetate
    • Acidol
    • Glykokollbetain
    • Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt
    • 2-trimethylammonioacetate
    • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
    • Glykokollbetain [German]
    • GLYCINEBETAINE
    • AI3-24187
    • AI3-52598
    • N,N,N-trimethylammonioacetate
    • MFCD00012123
    • CHEBI:17750
    • BRN 3537113
    • HSDB 7467
    • (Carboxymethyl)trimethylammonium hydroxide, inner salt
    • EINECS 203-490-6
    • UNII-3SCV180C9W
    • Betafin
    • NSC 166511
    • 3SCV180C9W
    • DTXSID8022666
    • 2-N,N,N-trimethylammonio acetate
    • 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt
    • 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt
    • (trimethylammoniumyl)acetate
    • NSC-166511
    • 2-(trimethylamino)acetic acid
    • (Carboxymethyl)trimethylammonium
    • DTXCID602666
    • EC 203-490-6
    • 1-Carboxy-N,N,N-trimethylmethanaminium inner salt
    • 4-04-00-02369 (Beilstein Handbook Reference)
    • Aminocoat
    • Betaine (JAN)
    • Greenstim
    • FinnStim
    • NSC166511
    • Betafin BP
    • Betafin BCR
    • Novobetaine
    • .alpha.-Earleine
    • Hepastyl
    • BETAINE [JAN]
    • Methanaminium, 1-carboxy-N,N,N-trimethyl-
    • BETAINE (MART.)
    • BETAINE [MART.]
    • BETAINE (USP-RS)
    • BETAINE [USP-RS]
    • (Carboxymethyl)trimethylammonium hydroxide inner salt
    • Betaine, Glycine
    • FEMA NO. 4223
    • CAS-107-43-7
    • NCGC00015150-03
    • trimethylglycocoll anhydride
    • betaina anhidra
    • Betaineanhydrous
    • .beta.ine
    • 3mam
    • 3ppp
    • Cystadane (TN)
    • Betaine (8CI)
    • Aquadew AN 100
    • ATONO2 Oxygen Baby
    • 3l6h
    • BETAINE [VANDF]
    • BETAINE [FHFI]
    • BETAINE [HSDB]
    • BETAINE [FCC]
    • BETAINE [MI]
    • BET
    • BETAINE [WHO-DD]
    • bmse000069
    • bmse000948
    • bmse000997
    • SCHEMBL7739
    • CHEMBL1182
    • BETAINE [ORANGE BOOK]
    • GTPL4550
    • Dr.Jucre Rebirth Activating Toner
    • BCP21888
    • Betaine Anhydrous For Oral Solution
    • HY-B0710
    • Tox21_113511
    • Tox21_301159
    • BDBM50103520
    • BETAINE ANHYDROUS [EMA EPAR]
    • STK372904
    • AKOS005206774
    • CCG-266068
    • DB06756
    • FB37571
    • SDCCGMLS-0066923.P001
    • NCGC00178605-01
    • NCGC00178605-02
    • NCGC00178605-03
    • NCGC00178605-08
    • NCGC00255057-01
    • Abromine; Lycine; Trimethylglycine (TMG)
    • AS-12941
    • SY011295
    • (Carboxymethyl)trimethylammonium inner salt
    • B0455
    • NS00002774

  • Applications

    Betaine (CAS 107-43-7) is the trimethylated derivative of glycine whose outstanding osmolyte capacity and excellent biocompatibility open a wide spectrum of uses: in poultry, swine and aquaculture feed it acts as a methyl donor that partially replaces choline, lowers fat deposition, promotes growth and mitigates heat or salinity stress; in functional foods, sports drinks and dairy or confectionery products it contributes methyl groups, supports liver health, provides a mild sweet taste, binds water and stabilises texture; in cosmetics and personal-care products (shampoos, shower gels, creams) betaine is a humectant that soothes irritation, boosts viscosity and creates rich foam; in pharmaceuticals and biotechnology it serves as a protein-stabilising osmoprotectant, PCR enhancer and isotonicity agent; it is also sprayed on crops to improve drought, salt and cold tolerance, and is incorporated as an eco-friendly additive in detergents, fermentation media and leather processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.25
    methanol 235.19
    isopropanol 6.73
    water 736.82
    ethyl acetate 2.27
    n-propanol 20.64
    acetone 1.51
    n-butanol 5.95
    acetonitrile 3.42
    DMF 10.16
    toluene 0.21
    isobutanol 2.92
    1,4-dioxane 3.78
    methyl acetate 5.64
    THF 3.18
    2-butanone 1.47
    n-pentanol 0.45
    sec-butanol 4.56
    n-hexane 0.08
    ethylene glycol 318.32
    NMP 43.87
    cyclohexane 0.19
    DMSO 3.0
    n-butyl acetate 2.58
    n-octanol 2.32
    chloroform 9.89
    n-propyl acetate 0.85
    acetic acid 728.92
    dichloromethane 6.95
    cyclohexanone 2.4
    propylene glycol 136.8
    isopropyl acetate 0.53
    DMAc 10.86
    2-ethoxyethanol 6.39
    isopentanol 0.39
    n-heptane 0.29
    ethyl formate 9.05
    1,2-dichloroethane 1.76
    n-hexanol 3.82
    2-methoxyethanol 62.4
    isobutyl acetate 0.4
    tetrachloromethane 2.5
    n-pentyl acetate 1.53
    transcutol 20.83
    n-heptanol 3.18
    ethylbenzene 0.2
    MIBK 0.15
    2-propoxyethanol 19.35
    tert-butanol 1.98
    MTBE 0.25
    2-butoxyethanol 10.21
    propionic acid 111.24
    o-xylene 0.44
    formic acid 1147.2
    diethyl ether 0.54
    m-xylene 0.23
    p-xylene 0.24
    chlorobenzene 1.02
    dimethyl carbonate 3.89
    n-octane 0.11
    formamide 346.17
    cyclopentanone 3.64
    2-pentanone 0.41
    anisole 0.73
    cyclopentyl methyl ether 0.81
    gamma-butyrolactone 21.86
    1-methoxy-2-propanol 12.21
    pyridine 4.22
    3-pentanone 0.66
    furfural 31.66
    n-dodecane 0.12
    diethylene glycol 51.24
    diisopropyl ether 0.06
    tert-amyl alcohol 2.06
    acetylacetone 1.11
    n-hexadecane 0.12
    acetophenone 1.59
    methyl propionate 4.63
    isopentyl acetate 1.51
    trichloroethylene 7.11
    n-nonanol 2.12
    cyclohexanol 2.88
    benzyl alcohol 2.09
    2-ethylhexanol 1.7
    isooctanol 1.53
    dipropyl ether 0.83
    1,2-dichlorobenzene 2.09
    ethyl lactate 5.78
    propylene carbonate 14.52
    n-methylformamide 53.0
    2-pentanol 0.8
    n-pentane 0.14
    1-propoxy-2-propanol 9.38
    1-methoxy-2-propyl acetate 4.89
    2-(2-methoxypropoxy) propanol 14.48
    mesitylene 0.18
    ε-caprolactone 8.02
    p-cymene 0.96
    epichlorohydrin 5.34
    1,1,1-trichloroethane 1.45
    2-aminoethanol 195.38
    morpholine-4-carbaldehyde 25.85
    sulfolane 23.65
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 1.64
    n-hexyl acetate 2.83
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 13.61
    sec-butyl acetate 0.34
    tert-butyl acetate 0.57
    decalin 0.09
    glycerin 251.18
    diglyme 10.56
    acrylic acid 189.88
    isopropyl myristate 1.01
    n-butyric acid 26.78
    acetyl acetate 2.79
    di(2-ethylhexyl) phthalate 5.45
    ethyl propionate 1.1
    nitromethane 91.38
    1,2-diethoxyethane 0.84
    benzonitrile 1.6
    trioctyl phosphate 3.23
    1-bromopropane 0.59
    gamma-valerolactone 13.32
    n-decanol 1.66
    triethyl phosphate 2.94
    4-methyl-2-pentanol 0.19
    propionitrile 2.47
    vinylene carbonate 19.82
    1,1,2-trichlorotrifluoroethane 56.06
    DMS 6.91
    cumene 0.24
    2-octanol 1.14
    2-hexanone 0.23
    octyl acetate 2.21
    limonene 1.08
    1,2-dimethoxyethane 2.01
    ethyl orthosilicate 2.15
    tributyl phosphate 3.67
    diacetone alcohol 2.03
    N,N-dimethylaniline 0.79
    acrylonitrile 7.04
    aniline 2.82
    1,3-propanediol 77.71
    bromobenzene 0.56
    dibromomethane 3.16
    1,1,2,2-tetrachloroethane 5.52
    2-methyl-cyclohexyl acetate 3.4
    tetrabutyl urea 4.18
    diisobutyl methanol 0.63
    2-phenylethanol 4.95
    styrene 0.21
    dioctyl adipate 3.06
    dimethyl sulfate 7.99
    ethyl butyrate 1.74
    methyl lactate 18.04
    butyl lactate 7.54
    diethyl carbonate 2.28
    propanediol butyl ether 15.95
    triethyl orthoformate 1.88
    p-tert-butyltoluene 1.06
    methyl 4-tert-butylbenzoate 6.95
    morpholine 7.79
    tert-butylamine 0.93
    n-dodecanol 1.27
    dimethoxymethane 3.84
    ethylene carbonate 10.16
    cyrene 15.46
    2-ethoxyethyl acetate 3.48
    2-ethylhexyl acetate 1.5
    1,2,4-trichlorobenzene 3.84
    4-methylpyridine 1.31
    dibutyl ether 0.35
    2,6-dimethyl-4-heptanol 0.63
    DEF 1.67
    dimethyl isosorbide 16.94
    tetrachloroethylene 9.11
    eugenol 11.19
    triacetin 8.34
    span 80 17.95
    1,4-butanediol 8.35
    1,1-dichloroethane 1.16
    2-methyl-1-pentanol 0.18
    methyl formate 34.56
    2-methyl-1-butanol 1.15
    n-decane 0.15
    butyronitrile 0.92
    3,7-dimethyl-1-octanol 1.25
    1-chlorooctane 0.54
    1-chlorotetradecane 0.33
    n-nonane 0.13
    undecane 0.14
    tert-butylcyclohexane 0.1
    cyclooctane 0.07
    cyclopentanol 6.02
    tetrahydropyran 1.25
    tert-amyl methyl ether 0.38
    2,5,8-trioxanonane 12.28
    1-hexene 0.14
    2-isopropoxyethanol 1.58
    2,2,2-trifluoroethanol 233.96
    methyl butyrate 1.22

    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