Beta-Alanine

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  • Identifiers

    CAS number
    107-95-9

    Molecular formula
    C3H7NO2

    SMILES
    C(CN)C(=O)O

  • Odor profile

    Fragrance
    Odorless 73.1%
    Cheesy 38.88%
    Meaty 37.46%
    Savory 29.96%
    Fishy 28.0%
    Sour 24.05%
    Sulfurous 21.88%
    Cooked 19.83%
    Ripe 18.9%
    Pungent 17.16%

     

    Flavor
    Odorless 68.4%
    Sour 42.78%
    Acidic 35.2%
    Rancid 28.4%
    Sweat 27.46%
    Mild 26.6%
    Pungent 26.26%
    Cheese 25.15%
    Vinegar 24.34%
    Yeast 22.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.0

    pKa est.
    7.46 (neutral)

    Molecular weight
    89.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Melting point expt.

    • 200 dec °C
    • 200 °C

    Flash point

    • 126.94 ˚C est.

    Solubility expt.

    • 545000 mg/L (at 25 °C)
    • 545.0 mg/mL
    • Soluble in water; Insoluble in ether and acetone
    • Slightly soluble (in ethanol)

  • Synonyms

    • beta-alanine
    • 3-Aminopropanoic acid
    • 107-95-9
    • 3-Aminopropionic acid
    • Beta Alanine
    • Abufene
    • H-beta-Ala-OH
    • beta-Aminopropionic acid
    • 2-Carboxyethylamine
    • Alanine, beta-
    • beta-Ala
    • .beta.-Alanine
    • Propanoic acid, 3-amino-
    • 3-Aminopropionsaeure
    • beta-Aminopropionsaeure
    • B-ALANINE
    • omega-Aminopropionic acid
    • 3-Aminopropanoate
    • FEMA No. 3252
    • .beta.-Aminopropionic acid
    • 3-amino-propionic acid
    • NSC 7603
    • AI3-18470
    • b-Aminopropanoate
    • b-Aminopropionate
    • 3-Aminopropionate
    • b-Ala
    • EINECS 203-536-5
    • MFCD00008200
    • 3-amino-Propanoate
    • beta-Aminopropanoate
    • beta-Aminopropionate
    • Abufene (TN)
    • omega-Aminopropionate
    • 11P2JDE17B
    • b-Aminopropanoic acid
    • b-Aminopropionic acid
    • 87867-95-6
    • CHEBI:16958
    • 3-amino-Propanoic acid
    • beta-Aminopropanoic acid
    • NSC-7603
    • ALANINE, .BETA.-
    • BETA-ALANINE [VANDF]
    • .BETA.-ALANINE [MI]
    • BETA ALANINE [USP-RS]
    • BETA-ALANINE [WHO-DD]
    • CHEMBL297569
    • .BETA.-ALANINE [FHFI]
    • DTXSID0030823
    • NSC7603
    • EC 203-536-5
    • 3-Aminopropanoic Acid (beta-Alanine)
    • 3 Aminopropionic Acid
    • BETA ALANINE (USP-RS)
    • beta-ALANINE-13C3-15N
    • beta-alanin
    • PAMIDRONATE DISODIUM PENTAHYDRATE IMPURITY A [EP IMPURITY]
    • ALANINE, BETA
    • UNII-11P2JDE17B
    • Alanine-beta
    • PAMIDRONATE DISODIUM PENTAHYDRATE IMPURITY A (EP IMPURITY)
    • beta -alanine
    • beta- alanine
    • beta--alanine
    • 2Carboxyethylamine
    • beta-Alanine #
    • aminopropionic acid
    • 3Aminopropionsaeure
    • Beta Alanine; Pamidronate Disodium Pentahydrate Imp. A (EP); Pamidronate Imp. A (EP); Calcium Pantothenate Impurity A; Pamidronate Disodium Pentahydrate Impurity A; Pamidronate Impurity A
    • 3aminopropanoic acid
    • 3aminopropionic acid
    • A-Ala
    • betaAminopropionsaeure
    • betaaminopropionic acid
    • beta-Alanine, 99%
    • Tocris-0206
    • Propanoic acid, 3amino
    • Propanoic acid, amino-
    • |A-Alanine (Standard)
    • H2NCH2CH2COOH
    • bmse000159
    • bmse000967
    • bmse001019
    • .omega.-Aminopropionic acid
    • BETA-ALANINE [INCI]
    • Oprea1_583450
    • beta-Alanine, >=98%, FG
    • GTPL2365
    • DTXCID8010823
    • 3-aminopropanoic acidbeta-alanine
    • HY-N0230R
    • beta-Alanine (6CI,8CI,9CI)
    • beta-Alanine, analytical standard
    • HY-N0230
    • STR03358
    • BBL037332
    • BDBM50000102
    • PDSP1_000144
    • PDSP2_000143
    • s5526
    • STK301638
    • AKOS000119659
    • CS-W020126
    • DB03107
    • FA10356
    • NCGC00024495-01
    • NCGC00024495-02
    • BP-10083
    • beta-Alanine, BioXtra, >=99.0% (NT)
    • beta-Alanine, BioUltra, >=99.0% (NT)
    • DB-022630
    • A0180
    • NS00009116
    • EN300-18046
    • C00099
    • D07561
    • F86478
    • Q310919
    • SR-01000597690
    • SR-01000597690-1
    • Z57127544
    • F2191-0213
    • 7CA041EF-5103-439A-9D84-1761529BA8DA
    • beta-Alanine, United States Pharmacopeia (USP) Reference Standard
    • Beta Alanine, Pharmaceutical Secondary Standard; Certified Reference Material
    • beta-Alanine, BioReagent, suitable for cell culture, suitable for insect cell culture
    • 203-536-5

  • Applications

    Beta-Alanine (CAS 107-95-9) is a versatile chemical building block and intermediate used in pharmaceutical and vitamin synthesis, notably as a precursor to pantothenic acid (vitamin B5) and related compounds. It is also used as a dietary supplement ingredient in sports nutrition products. In cosmetics and personal care, it can function as a buffering agent or formulation aid in specialty formulations. In industrial manufacturing, it serves as a starting material for amino acid derivatives and other specialty chemicals, enabling downstream products across multiple sectors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.04
    methanol 36.71
    isopropanol 2.59
    water 616.86
    ethyl acetate 2.0
    n-propanol 4.36
    acetone 7.1
    n-butanol 2.47
    acetonitrile 3.96
    DMF 86.58
    toluene 0.26
    isobutanol 2.85
    1,4-dioxane 4.36
    methyl acetate 2.59
    THF 12.43
    2-butanone 2.76
    n-pentanol 2.09
    sec-butanol 1.99
    n-hexane 0.18
    ethylene glycol 83.95
    NMP 128.96
    cyclohexane 0.13
    DMSO 93.45
    n-butyl acetate 2.55
    n-octanol 2.13
    chloroform 0.26
    n-propyl acetate 1.85
    acetic acid 117.55
    dichloromethane 0.41
    cyclohexanone 7.53
    propylene glycol 43.54
    isopropyl acetate 1.71
    DMAc 64.89
    2-ethoxyethanol 16.92
    isopentanol 2.43
    n-heptane 0.3
    ethyl formate 4.76
    1,2-dichloroethane 0.52
    n-hexanol 3.5
    2-methoxyethanol 38.14
    isobutyl acetate 1.46
    tetrachloromethane 0.24
    n-pentyl acetate 2.01
    transcutol 34.06
    n-heptanol 2.9
    ethylbenzene 0.2
    MIBK 2.86
    2-propoxyethanol 19.38
    tert-butanol 4.67
    MTBE 0.85
    2-butoxyethanol 12.26
    propionic acid 27.04
    o-xylene 0.65
    formic acid 248.9
    diethyl ether 0.55
    m-xylene 0.6
    p-xylene 0.38
    chlorobenzene 0.35
    dimethyl carbonate 4.08
    n-octane 0.13
    formamide 132.15
    cyclopentanone 15.01
    2-pentanone 2.9
    anisole 1.02
    cyclopentyl methyl ether 3.68
    gamma-butyrolactone 29.37
    1-methoxy-2-propanol 20.79
    pyridine 1.86
    3-pentanone 2.19
    furfural 27.71
    n-dodecane 0.1
    diethylene glycol 44.68
    diisopropyl ether 0.45
    tert-amyl alcohol 4.15
    acetylacetone 7.86
    n-hexadecane 0.11
    acetophenone 3.02
    methyl propionate 3.92
    isopentyl acetate 2.42
    trichloroethylene 0.82
    n-nonanol 2.02
    cyclohexanol 3.2
    benzyl alcohol 2.64
    2-ethylhexanol 2.04
    isooctanol 2.38
    dipropyl ether 1.48
    1,2-dichlorobenzene 0.56
    ethyl lactate 7.21
    propylene carbonate 12.81
    n-methylformamide 44.05
    2-pentanol 1.52
    n-pentane 0.12
    1-propoxy-2-propanol 11.87
    1-methoxy-2-propyl acetate 5.8
    2-(2-methoxypropoxy) propanol 16.48
    mesitylene 0.67
    ε-caprolactone 10.14
    p-cymene 0.68
    epichlorohydrin 6.59
    1,1,1-trichloroethane 0.36
    2-aminoethanol 57.4
    morpholine-4-carbaldehyde 66.57
    sulfolane 71.67
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 4.25
    n-hexyl acetate 2.99
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 18.64
    sec-butyl acetate 1.23
    tert-butyl acetate 2.8
    decalin 0.15
    glycerin 117.31
    diglyme 23.73
    acrylic acid 50.17
    isopropyl myristate 1.38
    n-butyric acid 13.29
    acetyl acetate 2.86
    di(2-ethylhexyl) phthalate 4.53
    ethyl propionate 2.03
    nitromethane 72.62
    1,2-diethoxyethane 2.38
    benzonitrile 1.76
    trioctyl phosphate 3.12
    1-bromopropane 0.18
    gamma-valerolactone 37.02
    n-decanol 1.56
    triethyl phosphate 2.51
    4-methyl-2-pentanol 1.75
    propionitrile 1.71
    vinylene carbonate 10.85
    1,1,2-trichlorotrifluoroethane 27.99
    DMS 4.1
    cumene 0.37
    2-octanol 1.44
    2-hexanone 2.03
    octyl acetate 2.24
    limonene 0.93
    1,2-dimethoxyethane 10.21
    ethyl orthosilicate 2.08
    tributyl phosphate 3.38
    diacetone alcohol 12.42
    N,N-dimethylaniline 1.87
    acrylonitrile 4.18
    aniline 1.39
    1,3-propanediol 27.31
    bromobenzene 0.19
    dibromomethane 0.24
    1,1,2,2-tetrachloroethane 0.86
    2-methyl-cyclohexyl acetate 3.19
    tetrabutyl urea 6.15
    diisobutyl methanol 1.54
    2-phenylethanol 3.23
    styrene 0.2
    dioctyl adipate 3.55
    dimethyl sulfate 17.73
    ethyl butyrate 2.53
    methyl lactate 18.19
    butyl lactate 6.73
    diethyl carbonate 1.79
    propanediol butyl ether 18.12
    triethyl orthoformate 2.29
    p-tert-butyltoluene 0.71
    methyl 4-tert-butylbenzoate 8.26
    morpholine 7.81
    tert-butylamine 1.54
    n-dodecanol 1.22
    dimethoxymethane 9.24
    ethylene carbonate 7.2
    cyrene 29.89
    2-ethoxyethyl acetate 3.5
    2-ethylhexyl acetate 1.72
    1,2,4-trichlorobenzene 0.87
    4-methylpyridine 1.85
    dibutyl ether 0.86
    2,6-dimethyl-4-heptanol 1.54
    DEF 8.63
    dimethyl isosorbide 21.29
    tetrachloroethylene 1.0
    eugenol 10.95
    triacetin 8.0
    span 80 16.68
    1,4-butanediol 14.82
    1,1-dichloroethane 0.21
    2-methyl-1-pentanol 2.12
    methyl formate 26.77
    2-methyl-1-butanol 2.5
    n-decane 0.14
    butyronitrile 1.42
    3,7-dimethyl-1-octanol 2.06
    1-chlorooctane 0.4
    1-chlorotetradecane 0.24
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.18
    cyclooctane 0.1
    cyclopentanol 7.09
    tetrahydropyran 1.53
    tert-amyl methyl ether 1.19
    2,5,8-trioxanonane 23.67
    1-hexene 0.29
    2-isopropoxyethanol 8.74
    2,2,2-trifluoroethanol 55.55
    methyl butyrate 3.28

    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