2-Butanamine, (S)-

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  • Identifiers

    CAS number
    513-49-5

    Molecular formula
    C4H11N

    SMILES
    CC[C@H](C)N

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fishy 83.52%
    Cheesy 83.45%
    Ripe 60.78%
    Animal 24.2%
    Musty 22.68%
    Sweaty 22.45%
    Fermented 21.3%
    Oily 20.06%
    Pungent 20.02%
    Meaty 19.64%

     

    Flavor
    Fishy 50.99%
    Ammoniacal 43.48%
    Ammonia 31.56%
    Meaty 24.37%
    Glue 22.63%
    Bloody 22.5%
    Sulfurous 21.75%
    Skunky 21.09%
    Yeasty 19.9%
    Leathery 19.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.11 (weak base)

    Molecular weight
    73.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    62°C

    Flash point

    • -10.77 ˚C est.

  • Synonyms

    • 2-Butanamine, (2S)-
    • (S)-sec-Butylamine
    • S-2-Butylamine
    • 2-BUTANAMINE, (S)-
    • Z192XWH21O
    • (2S)-BUTANAMINE
    • EINECS 208-164-7
    • SEC-BUTYLAMINE D-FORM
    • SEC-BUTYLAMINE, (S)
    • SEC-BUTYLAMINE D-FORM [MI]
    • RefChem:467334
    • 2-Butanamine, (S)-(9CI)
    • 208-164-7
    • (S)-(+)-2-Aminobutane
    • 513-49-5
    • (2S)-butan-2-amine
    • (S)-(+)-sec-Butylamine
    • (S)-2-Butanamine
    • (2s)-2-butanamine
    • (S)-2-Aminobutane
    • (+)-2-Butylamine
    • (S)-butan-2-amine
    • (S)-(+)-2-butylamine
    • MFCD00064417
    • S-(+)-sec-Butylamine
    • sec-Butylamine, (S)-
    • UNII-Z192XWH21O
    • (s)-2-butylamine
    • (S)-sec-butyl amine
    • (5)-butan-2-amine
    • (s)-(+)-s-butylamine
    • (S)-(+)-sec butylamine
    • SCHEMBL56263
    • SCHEMBL987995
    • SCHEMBL3857603
    • SCHEMBL5049787
    • (2S)-(+)-Butan-2-amine
    • DTXSID00883416
    • (S)-(+)-sec-Butylamine, 99%
    • AKOS005256219
    • NCGC00166116-01
    • NS00080760
    • EN300-211781
    • N12286
    • Q27294865
    • F8886-8242
    • 513-49-5

  • Applications

    2-Butanamine, (S)- (CAS 513-49-5) is a chiral primary amine with a stereocenter that is primarily used as a building block for enantioenriched pharmaceutical ingredients in drug synthesis; it is commonly employed as a key precursor to synthesize chiral amines and to form amide linkages in drug candidates; it also serves as a starting material for the manufacture of agrochemicals and other specialty chemicals; in asymmetric synthesis and catalysis, it can be converted into other chiral amine derivatives and used as a precursor for chiral ligands in catalysis; additionally, it finds use in research and development for process development and as a reference material to support intermediate compound development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 480.57
    methanol 687.91
    isopropanol 272.45
    water 22.01
    ethyl acetate 162.75
    n-propanol 378.99
    acetone 198.56
    n-butanol 398.86
    acetonitrile 167.0
    DMF 210.15
    toluene 35.34
    isobutanol 209.8
    1,4-dioxane 158.35
    methyl acetate 152.99
    THF 419.98
    2-butanone 169.76
    n-pentanol 208.44
    sec-butanol 240.41
    n-hexane 31.84
    ethylene glycol 163.32
    NMP 244.66
    cyclohexane 28.9
    DMSO 199.91
    n-butyl acetate 262.14
    n-octanol 96.16
    chloroform 356.22
    n-propyl acetate 95.99
    acetic acid 504.55
    dichloromethane 180.06
    cyclohexanone 209.08
    propylene glycol 237.38
    isopropyl acetate 96.52
    DMAc 177.23
    2-ethoxyethanol 204.3
    isopentanol 220.09
    n-heptane 50.32
    ethyl formate 168.02
    1,2-dichloroethane 85.26
    n-hexanol 370.73
    2-methoxyethanol 422.49
    isobutyl acetate 61.54
    tetrachloromethane 112.6
    n-pentyl acetate 101.74
    transcutol 333.24
    n-heptanol 151.98
    ethylbenzene 15.47
    MIBK 70.23
    2-propoxyethanol 407.11
    tert-butanol 234.69
    MTBE 116.34
    2-butoxyethanol 222.3
    propionic acid 354.83
    o-xylene 27.11
    formic acid 268.63
    diethyl ether 127.87
    m-xylene 25.02
    p-xylene 24.81
    chlorobenzene 71.68
    dimethyl carbonate 36.01
    n-octane 13.03
    formamide 184.57
    cyclopentanone 304.18
    2-pentanone 149.97
    anisole 41.05
    cyclopentyl methyl ether 154.02
    gamma-butyrolactone 317.8
    1-methoxy-2-propanol 272.75
    pyridine 166.64
    3-pentanone 106.5
    furfural 274.91
    n-dodecane 8.12
    diethylene glycol 272.73
    diisopropyl ether 33.61
    tert-amyl alcohol 208.14
    acetylacetone 121.26
    n-hexadecane 8.27
    acetophenone 47.93
    methyl propionate 127.19
    isopentyl acetate 159.3
    trichloroethylene 190.05
    n-nonanol 82.01
    cyclohexanol 175.19
    benzyl alcohol 70.64
    2-ethylhexanol 187.23
    isooctanol 93.67
    dipropyl ether 144.98
    1,2-dichlorobenzene 56.6
    ethyl lactate 70.65
    propylene carbonate 193.22
    n-methylformamide 226.94
    2-pentanol 189.86
    n-pentane 36.22
    1-propoxy-2-propanol 341.59
    1-methoxy-2-propyl acetate 143.77
    2-(2-methoxypropoxy) propanol 105.96
    mesitylene 14.95
    ε-caprolactone 194.81
    p-cymene 31.72
    epichlorohydrin 181.98
    1,1,1-trichloroethane 123.93
    2-aminoethanol 312.32
    morpholine-4-carbaldehyde 192.95
    sulfolane 263.44
    2,2,4-trimethylpentane 18.5
    2-methyltetrahydrofuran 250.46
    n-hexyl acetate 103.05
    isooctane 10.19
    2-(2-butoxyethoxy)ethanol 161.96
    sec-butyl acetate 59.64
    tert-butyl acetate 79.52
    decalin 10.37
    glycerin 273.22
    diglyme 218.28
    acrylic acid 283.05
    isopropyl myristate 37.48
    n-butyric acid 508.92
    acetyl acetate 100.68
    di(2-ethylhexyl) phthalate 45.07
    ethyl propionate 72.55
    nitromethane 312.74
    1,2-diethoxyethane 115.04
    benzonitrile 92.03
    trioctyl phosphate 39.39
    1-bromopropane 82.45
    gamma-valerolactone 292.07
    n-decanol 58.94
    triethyl phosphate 48.63
    4-methyl-2-pentanol 82.57
    propionitrile 185.82
    vinylene carbonate 147.23
    1,1,2-trichlorotrifluoroethane 268.05
    DMS 48.11
    cumene 14.17
    2-octanol 76.33
    2-hexanone 101.38
    octyl acetate 59.33
    limonene 56.41
    1,2-dimethoxyethane 179.31
    ethyl orthosilicate 52.33
    tributyl phosphate 47.85
    diacetone alcohol 133.96
    N,N-dimethylaniline 30.35
    acrylonitrile 181.16
    aniline 120.04
    1,3-propanediol 356.75
    bromobenzene 52.87
    dibromomethane 136.02
    1,1,2,2-tetrachloroethane 173.69
    2-methyl-cyclohexyl acetate 80.88
    tetrabutyl urea 54.34
    diisobutyl methanol 66.83
    2-phenylethanol 105.51
    styrene 23.12
    dioctyl adipate 47.09
    dimethyl sulfate 53.2
    ethyl butyrate 140.97
    methyl lactate 104.99
    butyl lactate 108.76
    diethyl carbonate 68.87
    propanediol butyl ether 161.07
    triethyl orthoformate 101.16
    p-tert-butyltoluene 30.84
    methyl 4-tert-butylbenzoate 61.33
    morpholine 246.48
    tert-butylamine 155.39
    n-dodecanol 44.82
    dimethoxymethane 98.1
    ethylene carbonate 129.01
    cyrene 76.15
    2-ethoxyethyl acetate 97.14
    2-ethylhexyl acetate 127.75
    1,2,4-trichlorobenzene 65.18
    4-methylpyridine 136.08
    dibutyl ether 73.52
    2,6-dimethyl-4-heptanol 66.83
    DEF 149.51
    dimethyl isosorbide 127.69
    tetrachloroethylene 161.75
    eugenol 74.5
    triacetin 77.78
    span 80 139.21
    1,4-butanediol 133.76
    1,1-dichloroethane 126.23
    2-methyl-1-pentanol 131.66
    methyl formate 131.28
    2-methyl-1-butanol 219.02
    n-decane 13.78
    butyronitrile 216.4
    3,7-dimethyl-1-octanol 82.47
    1-chlorooctane 36.75
    1-chlorotetradecane 15.03
    n-nonane 13.56
    undecane 10.14
    tert-butylcyclohexane 12.47
    cyclooctane 10.84
    cyclopentanol 238.32
    tetrahydropyran 199.62
    tert-amyl methyl ether 93.73
    2,5,8-trioxanonane 142.08
    1-hexene 73.4
    2-isopropoxyethanol 129.54
    2,2,2-trifluoroethanol 159.31
    methyl butyrate 107.59

    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