Valine

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  • Identifiers

    CAS number
    72-18-4

    Molecular formula
    C5H11NO2

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

  • Odor profile

    Fragrance
    Odorless 68.23%
    Cooling 25.97%
    Savory 22.58%
    Mint 21.23%
    Cheesy 21.18%
    Milky 18.4%
    Bitter 17.51%
    Fruity 15.83%
    Malty 15.63%
    Sweet 15.44%

     

    Flavor
    Odorless 55.81%
    Mild 28.98%
    Bland 25.64%
    Stinky 20.2%
    Yeast 19.78%
    Acrid 19.68%
    Roquefort cheese 19.58%
    Sweet-like 19.56%
    Acidic 19.46%
    Sulfury 19.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.3

    pKa est.
    6.26 (neutral)

    Molecular weight
    117.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 315 °C
    • 315 °C (closed capillary)
    • MP: 315 °C with decomposition (D-Valine (natural isomer))
    • MP: 293 °C with decomposition (L-Valine)
    • 295 - 300 °C

    Boiling point

    • Sublimes

    Flash point

    • 106.34 ˚C est.

    Solubility expt.

    • 58500 mg/L (at 25 °C)
    • Insoluble in common neutral solvents.
    • Very slightly soluble in alcohol; insoluble in ether
    • Solubility in water at 0 °C: 83.4 g/L; at 25 °C: 88.5 g/L; at 50 °C: 96.2 g/L; at 65 °C: 102.4 g/L
    • In water, 5.85X10+4 mg/L at 25 °C
    • 58.5 mg/mL

  • Synonyms

    • L-valine
    • valine
    • 72-18-4
    • (S)-Valine
    • H-Val-OH
    • (2S)-2-amino-3-methylbutanoic acid
    • (S)-2-Amino-3-methylbutanoic acid
    • 2-Amino-3-methylbutyric acid
    • valina
    • (S)-2-Amino-3-methylbutyric acid
    • L-alpha-Amino-beta-methylbutyric acid
    • Valinum [Latin]
    • Valina [Spanish]
    • Butanoic acid, 2-amino-3-methyl-
    • Valine (VAN)
    • Valinum
    • Valine [USAN:INN]
    • L-valin
    • VALINE, L-
    • L(+)-alpha-Aminoisovaleric acid
    • (S)-alpha-Amino-beta-methylbutyric acid
    • Butanoic acid, 2-amino-3-methyl-, (S)-
    • NSC 76038
    • 2-Amino-3-methylbutyric acid, (S)-
    • 2-Amino-3-methylbutanoic acid, (S)-
    • val
    • CHEBI:16414
    • UNII-HG18B9YRS7
    • EINECS 200-773-6
    • HG18B9YRS7
    • MFCD00064220
    • NSC-76038
    • (L)-valine
    • 2-Amino-3-methylbutanoic acid (VAN)
    • Valine (L-Valine)
    • 7004-03-7
    • HSDB 7800
    • L-2-Amino-3-methylbutanoic acid
    • l-(+)-alpha-Aminoisovaleric acid
    • L-2-Aminoisovaleric Acid
    • (S)-alpha-Aminoisovaleric acid
    • Valinum (Latin)
    • DTXSID40883233
    • EC 200-773-6
    • VALINE (II)
    • VALINE [II]
    • L-Val
    • VALINE (MART.)
    • VALINE [MART.]
    • valin
    • 2-aminoisovaleric acid
    • Hval
    • VALINE (EP MONOGRAPH)
    • VALINE [EP MONOGRAPH]
    • VALINE (USP MONOGRAPH)
    • VALINE [USP MONOGRAPH]
    • (2S)-2-amino-3-methylbutanoate
    • alpha-aminoisovaleric acid
    • 2-amino-3-methylbutanoate
    • Racemic valine
    • L-(+)-a-Aminoisovaleric acid
    • s-valin
    • L-(+)-.alpha.-Aminoisovaleric acid
    • L-a-Amino-b-methylbutyric acid
    • 3h-l-valine
    • (S)-a-Amino-b-methylbutyric acid
    • L-Valine, FCC
    • Valine (USP)
    • (+)-valine
    • 1t4s
    • L-Valine (JP18)
    • L-Valine, 99%
    • VALINE [VANDF]
    • VALINE [HSDB]
    • VALINE [USAN]
    • (S)-Val
    • L-Val-4
    • L-VAL-OH
    • VALINE [INN]
    • VALINE [WHO-DD]
    • VALINE [MI]
    • 2-Amino-3-methylbutyrate
    • L-VALINE [FCC]
    • L-VALINE [JAN]
    • bmse000052
    • bmse000811
    • bmse000860
    • L-(+)-a-Aminoisovalerate
    • L-a-Amino-b-methylbutyrate
    • SCHEMBL8516
    • (S)-A-Aminoisovaleric acid
    • L-VALINE [USP-RS]
    • CHEMBL43068
    • (S)-a-Amino-b-methylbutyrate
    • L-(+)-alpha-Aminoisovalerate
    • L-iso-C3H7CH(NH2)COOH
    • GTPL4794
    • (S)-2-Amino-3-methylbutyrate
    • (S)-2-Amino-3-methylbutanoate
    • L-alpha-Amino-beta-methylbutyrate
    • (S)-2-amino-3-methyl-Butanoate
    • DTXCID201022782
    • Pharmakon1600-01301009
    • HY-N0717
    • (S)-alpha-Amino-beta-methylbutyrate
    • (S)-2-amino-3-methyl-butyric acid
    • BDBM50463208
    • NSC760111
    • s5628
    • (S)-2-amino-3-methyl-Butanoic acid
    • L-Valine, 98.5-101.5%
    • AKOS015841564
    • CCG-266067
    • CS-W020706
    • DB00161
    • FV00534
    • L-Valine, 99%, natural, FCC, FG
    • NSC-760111
    • RP10200
    • NCGC00344520-01
    • AS-12787
    • L-Valine, BioUltra, >=99.5% (NT)
    • L-Valine, SAJ special grade, >=98.5%
    • DB-029989
    • DB-234161
    • L-Valine, reagent grade, >=98% (HPLC)
    • H-Val-OH; L-2-Amino-3-methylbutanoic acid
    • V0014

  • Applications

    Valine is used as an essential amino acid in human dietary supplements and parenteral nutrition solutions. It is also added to animal feeds to balance essential amino acid profiles and serves as a component of cell culture and fermentation media in bioprocessing. As a building block for pharmaceutical synthesis and peptide synthesis, valine is employed in drug development. In the food industry, it may be used to fortify or balance essential amino acids in processed foods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.36
    methanol 2.21
    isopropanol 0.05
    water 45.8
    ethyl acetate 0.1
    n-propanol 0.08
    acetone 0.04
    n-butanol 0.12
    acetonitrile 0.14
    DMF 0.01
    toluene 0.04
    isobutanol 0.15
    1,4-dioxane 0.29
    methyl acetate 0.09
    THF 0.53
    2-butanone 0.08
    n-pentanol 0.12
    sec-butanol 0.09
    n-hexane 0.05
    ethylene glycol 5.92
    NMP 6.98
    cyclohexane 0.04
    DMSO 2.36
    n-butyl acetate 0.38
    n-octanol 0.4
    chloroform 0.12
    n-propyl acetate 0.11
    acetic acid 11.72
    dichloromethane 0.14
    cyclohexanone 0.56
    propylene glycol 2.18
    isopropyl acetate 0.12
    DMAc 0.46
    2-ethoxyethanol 0.97
    isopentanol 0.22
    n-heptane 0.1
    ethyl formate 0.17
    1,2-dichloroethane 0.09
    n-hexanol 0.6
    2-methoxyethanol 1.31
    isobutyl acetate 0.13
    tetrachloromethane 0.16
    n-pentyl acetate 0.38
    transcutol 5.95
    n-heptanol 0.8
    ethylbenzene 0.07
    MIBK 0.2
    2-propoxyethanol 2.27
    tert-butanol 0.2
    MTBE 0.07
    2-butoxyethanol 2.18
    propionic acid 1.41
    o-xylene 0.16
    formic acid 54.38
    diethyl ether 0.04
    m-xylene 0.13
    p-xylene 0.12
    chlorobenzene 0.09
    dimethyl carbonate 0.09
    n-octane 0.05
    formamide 11.18
    cyclopentanone 0.6
    2-pentanone 0.08
    anisole 0.13
    cyclopentyl methyl ether 0.28
    gamma-butyrolactone 1.84
    1-methoxy-2-propanol 0.49
    pyridine 0.15
    3-pentanone 0.09
    furfural 3.54
    n-dodecane 0.03
    diethylene glycol 7.87
    diisopropyl ether 0.07
    tert-amyl alcohol 0.54
    acetylacetone 0.32
    n-hexadecane 0.03
    acetophenone 0.45
    methyl propionate 0.09
    isopentyl acetate 0.76
    trichloroethylene 0.24
    n-nonanol 0.42
    cyclohexanol 0.33
    benzyl alcohol 0.35
    2-ethylhexanol 0.75
    isooctanol 0.9
    dipropyl ether 0.14
    1,2-dichlorobenzene 0.25
    ethyl lactate 0.6
    propylene carbonate 1.45
    n-methylformamide 0.15
    2-pentanol 0.08
    n-pentane 0.02
    1-propoxy-2-propanol 1.45
    1-methoxy-2-propyl acetate 1.05
    2-(2-methoxypropoxy) propanol 4.47
    mesitylene 0.19
    ε-caprolactone 1.13
    p-cymene 0.41
    epichlorohydrin 0.55
    1,1,1-trichloroethane 0.1
    2-aminoethanol 2.6
    morpholine-4-carbaldehyde 2.46
    sulfolane 12.41
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 0.41
    n-hexyl acetate 0.56
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 4.21
    sec-butyl acetate 0.13
    tert-butyl acetate 0.43
    decalin 0.09
    glycerin 11.73
    diglyme 4.0
    acrylic acid 3.42
    isopropyl myristate 0.31
    n-butyric acid 0.74
    acetyl acetate 0.29
    di(2-ethylhexyl) phthalate 1.64
    ethyl propionate 0.12
    nitromethane 1.61
    1,2-diethoxyethane 0.24
    benzonitrile 0.22
    trioctyl phosphate 1.0
    1-bromopropane 0.04
    gamma-valerolactone 1.9
    n-decanol 0.34
    triethyl phosphate 0.82
    4-methyl-2-pentanol 0.23
    propionitrile 0.05
    vinylene carbonate 0.92
    1,1,2-trichlorotrifluoroethane 5.44
    DMS 0.74
    cumene 0.18
    2-octanol 0.4
    2-hexanone 0.12
    octyl acetate 0.46
    limonene 0.49
    1,2-dimethoxyethane 0.36
    ethyl orthosilicate 0.75
    tributyl phosphate 1.0
    diacetone alcohol 1.61
    N,N-dimethylaniline 0.25
    acrylonitrile 0.1
    aniline 0.14
    1,3-propanediol 1.5
    bromobenzene 0.07
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 0.26
    2-methyl-cyclohexyl acetate 1.26
    tetrabutyl urea 1.21
    diisobutyl methanol 0.61
    2-phenylethanol 1.04
    styrene 0.04
    dioctyl adipate 0.62
    dimethyl sulfate 0.78
    ethyl butyrate 0.33
    methyl lactate 0.74
    butyl lactate 1.47
    diethyl carbonate 0.28
    propanediol butyl ether 3.11
    triethyl orthoformate 0.48
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 2.85
    morpholine 0.23
    tert-butylamine 0.11
    n-dodecanol 0.27
    dimethoxymethane 0.06
    ethylene carbonate 0.56
    cyrene 7.73
    2-ethoxyethyl acetate 0.78
    2-ethylhexyl acetate 0.6
    1,2,4-trichlorobenzene 0.43
    4-methylpyridine 0.09
    dibutyl ether 0.11
    2,6-dimethyl-4-heptanol 0.61
    DEF 0.1
    dimethyl isosorbide 8.86
    tetrachloroethylene 0.48
    eugenol 3.35
    triacetin 1.62
    span 80 4.87
    1,4-butanediol 0.85
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.33
    methyl formate 0.21
    2-methyl-1-butanol 0.25
    n-decane 0.04
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.55
    1-chlorooctane 0.11
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.1
    cyclooctane 0.04
    cyclopentanol 0.45
    tetrahydropyran 0.09
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 5.46
    1-hexene 0.05
    2-isopropoxyethanol 0.67
    2,2,2-trifluoroethanol 7.65
    methyl butyrate 0.15

    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