Betaine Aldehyde

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  • Identifiers

    CAS number
    7418-61-3

    Molecular formula
    C5H12NO+

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 65.3%
    Green 50.55%
    Ethereal 46.0%
    Cheesy 43.34%
    Pungent 42.61%
    Fermented 37.9%
    Fresh 34.76%
    Herbal 32.69%
    Fatty 31.23%
    Sweet 30.87%

     

    Flavor
    Green 40.08%
    Fruity 27.93%
    Oily 23.88%
    Tropical 23.72%
    Sulfurous 22.9%
    Pungent 22.27%
    Earthy 21.27%
    Vegetable 20.56%
    Acrid 20.53%
    Yeasty 20.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    5.48 (weak acid)

    Molecular weight
    102.15 g/mol

    Flash point

    • -135.86 ˚C est.

  • Synonyms

    • betaine aldehyde
    • glycine betaine aldehyde
    • trimethyl(2-oxoethyl)azanium
    • 7418-61-3
    • DEI7V5X7RB
    • Ethanaminium, N,N,N-trimethyl-2-oxo-
    • CHEBI:15710
    • DTXSID20225152
    • RefChem:567994
    • DTXCID20147643
    • Trimethyl(formylmethyl)ammonium
    • (Formylmethyl)trimethylammonium
    • N,N,N-trimethyl-2-oxoethanaminium
    • Betaine aldehyde, chloride salt
    • BTL
    • betaine-aldehyde
    • UNII-DEI7V5X7RB
    • Lopac-B-3650
    • bmse000070
    • Lopac0_000182
    • SCHEMBL94563
    • SCHEMBL3822114
    • (formylmethyl)trimethyl-Ammonium
    • CHEMBL1231491
    • N,N,N-trimethyl-2-oxoethylammonium
    • N,N,N-trimethyl-2-oxo Ethanaminium
    • N,N,N-trimethyl-2-oxo-Ethanaminium
    • BDBM50557959
    • Ethanaminium, N,N,N-trimethyl-2-oxo
    • AKOS015915257
    • CCG-204277
    • DB04401
    • N,N,N-Trimethyl-2-oxoethan-1-aminium
    • NCGC00015151-01
    • NCGC00015151-02
    • NCGC00015151-03
    • NCGC00015151-04
    • NCGC00162083-01
    • AMMONIUM, (FORMYLMETHYL)TRIMETHYL-
    • Ammonium, (formylmethyl)trimethyl- (8CI)
    • NS00073190
    • C00576
    • Ethanaminium, N,N,N-trimethyl-2-oxo- (9CI)
    • Q10859645
    • [Formylmethyl]Trimethyl-Ammonium, N,N,N-Trimethylammonium Acetaldehyde
    • [FORMYLMETHYL]TRIMETHYL-AMMONIUM; N,N,N-TRIMETHYL AMMONIUM ACETALDEHYDE
    • 7418-61-3

  • Applications

    Betaine aldehyde (CAS 7418-61-3) is primarily handled as a chemical intermediate in organic synthesis. It is commonly used as a precursor to glycine betaine and related quaternary ammonium compounds, enabling production of glycine betaine and related specialty chemicals used in personal care and industrial applications. In research and development, it serves as a reagent/building block for studies of choline/glycine betaine metabolism and related enzymatic pathways. It can also act as a reactive aldehyde building block in polymer and coating formulations that involve aldehyde–amine crosslinking, providing routes to customized materials. Additionally, it may be used as an intermediate in pharmaceutical synthesis workflows where controlled aldehyde functionality is required, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.46
    methanol 190.62
    isopropanol 8.5
    water 552.83
    ethyl acetate 3.79
    n-propanol 25.08
    acetone 1.77
    n-butanol 8.94
    acetonitrile 5.38
    DMF 8.81
    toluene 0.39
    isobutanol 6.18
    1,4-dioxane 6.78
    methyl acetate 8.08
    THF 4.87
    2-butanone 2.32
    n-pentanol 1.3
    sec-butanol 7.22
    n-hexane 0.19
    ethylene glycol 212.52
    NMP 39.65
    cyclohexane 0.55
    DMSO 4.59
    n-butyl acetate 4.47
    n-octanol 3.36
    chloroform 23.65
    n-propyl acetate 1.65
    acetic acid 464.28
    dichloromethane 14.23
    cyclohexanone 4.65
    propylene glycol 99.71
    isopropyl acetate 0.9
    DMAc 13.07
    2-ethoxyethanol 9.42
    isopentanol 1.35
    n-heptane 0.75
    ethyl formate 10.15
    1,2-dichloroethane 3.5
    n-hexanol 7.08
    2-methoxyethanol 54.0
    isobutyl acetate 0.83
    tetrachloromethane 7.73
    n-pentyl acetate 2.46
    transcutol 26.12
    n-heptanol 5.44
    ethylbenzene 0.36
    MIBK 0.26
    2-propoxyethanol 22.53
    tert-butanol 3.38
    MTBE 0.59
    2-butoxyethanol 13.86
    propionic acid 107.79
    o-xylene 0.7
    formic acid 767.11
    diethyl ether 1.02
    m-xylene 0.35
    p-xylene 0.51
    chlorobenzene 2.11
    dimethyl carbonate 3.69
    n-octane 0.24
    formamide 238.3
    cyclopentanone 6.16
    2-pentanone 0.69
    anisole 1.19
    cyclopentyl methyl ether 1.59
    gamma-butyrolactone 23.87
    1-methoxy-2-propanol 13.07
    pyridine 7.55
    3-pentanone 1.27
    furfural 35.63
    n-dodecane 0.23
    diethylene glycol 50.9
    diisopropyl ether 0.15
    tert-amyl alcohol 4.32
    acetylacetone 1.38
    n-hexadecane 0.22
    acetophenone 2.28
    methyl propionate 5.86
    isopentyl acetate 2.78
    trichloroethylene 14.53
    n-nonanol 3.04
    cyclohexanol 6.18
    benzyl alcohol 3.2
    2-ethylhexanol 3.32
    isooctanol 2.89
    dipropyl ether 1.6
    1,2-dichlorobenzene 3.79
    ethyl lactate 6.76
    propylene carbonate 16.36
    n-methylformamide 42.53
    2-pentanol 1.77
    n-pentane 0.28
    1-propoxy-2-propanol 12.04
    1-methoxy-2-propyl acetate 5.92
    2-(2-methoxypropoxy) propanol 13.61
    mesitylene 0.29
    ε-caprolactone 12.3
    p-cymene 1.54
    epichlorohydrin 7.94
    1,1,1-trichloroethane 3.82
    2-aminoethanol 168.77
    morpholine-4-carbaldehyde 27.22
    sulfolane 24.61
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 3.18
    n-hexyl acetate 3.81
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 14.92
    sec-butyl acetate 0.71
    tert-butyl acetate 0.89
    decalin 0.23
    glycerin 177.84
    diglyme 14.55
    acrylic acid 164.79
    isopropyl myristate 1.4
    n-butyric acid 35.9
    acetyl acetate 4.58
    di(2-ethylhexyl) phthalate 5.83
    ethyl propionate 1.95
    nitromethane 78.05
    1,2-diethoxyethane 1.49
    benzonitrile 2.88
    trioctyl phosphate 3.31
    1-bromopropane 1.25
    gamma-valerolactone 16.84
    n-decanol 2.27
    triethyl phosphate 4.14
    4-methyl-2-pentanol 0.46
    propionitrile 4.0
    vinylene carbonate 22.28
    1,1,2-trichlorotrifluoroethane 73.01
    DMS 7.41
    cumene 0.44
    2-octanol 1.94
    2-hexanone 0.49
    octyl acetate 2.73
    limonene 1.96
    1,2-dimethoxyethane 3.37
    ethyl orthosilicate 3.47
    tributyl phosphate 3.92
    diacetone alcohol 2.7
    N,N-dimethylaniline 1.17
    acrylonitrile 9.72
    aniline 4.73
    1,3-propanediol 73.63
    bromobenzene 1.22
    dibromomethane 6.62
    1,1,2,2-tetrachloroethane 10.88
    2-methyl-cyclohexyl acetate 5.05
    tetrabutyl urea 4.19
    diisobutyl methanol 1.18
    2-phenylethanol 6.66
    styrene 0.39
    dioctyl adipate 3.76
    dimethyl sulfate 7.68
    ethyl butyrate 3.18
    methyl lactate 15.89
    butyl lactate 8.06
    diethyl carbonate 3.81
    propanediol butyl ether 16.79
    triethyl orthoformate 3.42
    p-tert-butyltoluene 1.61
    methyl 4-tert-butylbenzoate 7.65
    morpholine 11.78
    tert-butylamine 1.83
    n-dodecanol 1.76
    dimethoxymethane 3.4
    ethylene carbonate 12.74
    cyrene 14.91
    2-ethoxyethyl acetate 4.72
    2-ethylhexyl acetate 2.82
    1,2,4-trichlorobenzene 6.98
    4-methylpyridine 2.44
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 1.18
    DEF 2.87
    dimethyl isosorbide 17.69
    tetrachloroethylene 18.05
    eugenol 12.14
    triacetin 9.48
    span 80 17.66
    1,4-butanediol 11.77
    1,1-dichloroethane 2.53
    2-methyl-1-pentanol 0.62
    methyl formate 25.25
    2-methyl-1-butanol 3.27
    n-decane 0.31
    butyronitrile 1.75
    3,7-dimethyl-1-octanol 2.06
    1-chlorooctane 1.01
    1-chlorotetradecane 0.54
    n-nonane 0.28
    undecane 0.26
    tert-butylcyclohexane 0.24
    cyclooctane 0.17
    cyclopentanol 11.22
    tetrahydropyran 2.78
    tert-amyl methyl ether 0.9
    2,5,8-trioxanonane 13.9
    1-hexene 0.34
    2-isopropoxyethanol 2.97
    2,2,2-trifluoroethanol 237.17
    methyl butyrate 2.27

    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