Levacecarnine hydrochloride

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  • Identifiers

    CAS number
    5080-50-2

    Molecular formula
    C9H18ClNO4

    SMILES
    CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 54.26%
    Sour 34.62%
    Odorless 33.5%
    Cheesy 29.08%
    Grape 25.19%
    Fatty 23.28%
    Tropical 22.77%
    Sweaty 22.39%
    Dairy 21.17%
    Milky 21.0%

     

    Flavor
    Fruity 39.85%
    Odorless 31.66%
    Mild 28.54%
    Bland 25.22%
    Tropical 25.07%
    Stinky 21.11%
    Sour 20.57%
    Green 19.86%
    Dried berry 19.67%
    Roquefort cheese 19.63%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.86 (weak acid)

    Molecular weight
    239.69 g/mol

    Flash point

    • -90.28 ˚C est.

    Solubility expt.

    • >36 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Acetyl-L-carnitine hydrochloride
    • acetyl l-carnitine hydrochloride
    • Acetylcarnitine hydrochloride
    • ACETYL-L-CARNITINE CHLORIDE
    • NDW10MX58T
    • Branigen
    • ACETYL CARNITINE HCL
    • Levacecarnine hydrochloride
    • ACETYLCARNITINE HYDROCHLORIDE [MI]
    • ACETYLCARNITINE HYDROCHLORIDE [MART.]
    • ACETYLCARNITINE HYDROCHLORIDE [WHO-DD]
    • 1-PROPANAMINIUM, 2-(ACETYLOXY)-3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1), (2R)-
    • AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE, ACETATE, (-)-
    • DTXCID1020693
    • ACETYLCARNITINE HYDROCHLORIDE (MART.)
    • ((2R)-2-acetoxy-3-carboxy-propyl)-trimethyl-ammonium;chloride
    • [(2R)-2-acetoxy-3-carboxy-propyl]-trimethyl-ammonium;chloride
    • RefChem:799005
    • ACETYL CARNITINE HCL [INCI]
    • 610-570-8
    • DTXSID3040693
    • 5080-50-2
    • o-Acetyl-L-carnitine hydrochloride
    • Acetylcarnitine chloride
    • UNII-NDW10MX58T
    • Acetylcarnitine L-form HCl
    • Acetylcarnitine hydrochloride, l-
    • Acetylcarnitine L-form hydrochloride
    • MFCD00082230
    • O-Acetyl-L-carnitine HCl
    • (R)-2-Acetoxy-3-carboxy-N,N,N-trimethylpropan-1-aminium chloride
    • Branigan
    • NSC 747431
    • (R)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride
    • L-ACETYLCARNITINE
    • acetyl L-carnitine chloride
    • [(2R)-2-(acetyloxy)-3-carboxypropyl]trimethylazanium chloride
    • L-Acetylcarnitine (hydrochloride)
    • SMR000875234
    • Acetyl-L-carnitine (hydrochloride)
    • O-Acetyl-L-carnitine (hydrochloride)
    • L-Carnitine Impurity 19
    • Acetyl-L-Carnitine,ALCAR
    • bmse000464
    • MLS001332367
    • MLS001332368
    • orb1305315
    • CHEMBL1321219
    • SCHEMBL29376874
    • acetyl-l-car-nitine hydrochloride
    • HMS2233G09
    • N-Acetyl-L-carnitine hydrochloride
    • AC-004
    • MSK164815
    • NSC747431
    • R-(-)-2-Acetyloxy-3-carboxy-N,N,N-trimethyl-1-propanaminium chloride
    • SBB062879
    • AKOS005138019
    • AKOS015963427
    • CCG-266869
    • EBC-616156
    • FA31584
    • AS-11664
    • SY057425
    • Acetyl-L-carnitine Hydrochloride, >/=99%
    • A1394
    • 1-Propanaminium,N,N-trimethyl-, chloride, (2R)-
    • [(2R)-2-acetoxy-3-carboxy-propyl]-trimethyl-ammonium
    • Q27295965
    • (3R)-3-acetyloxy-4-(trimethylamino)butanoic acid, chloride
    • O-Acetyl-L-carnitine hydrochloride, >=99% (titration), powder
    • (R)-2-Acetoxy-3-carboxy-N,N,N-trimethyl-1-propanaminium Chloride
    • (3-Carboxy-2-hydroxypropyl)trimethylammonium acetate (ester) chloride
    • 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (2R)- (1:1)
    • 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)-
    • 5080-50-2

  • Applications

    Levacecarnine hydrochloride (CAS 5080-50-2) is a chiral amine hydrochloride primarily used as an intermediate and building block in organic synthesis. The salt form can improve stability and handling, and it is commonly employed in the synthesis of pharmaceutical and agrochemical compounds. It may also serve as a precursor or ligand in asymmetric (enantioselective) synthesis and as a functionalized amine building block for polymer and materials research. In fragrance and flavor chemistry, amine-containing components are explored for sensory properties, and levacecarnine hydrochloride may be evaluated as a fragrance-related intermediate or component in formulations, subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.82
    methanol 473.01
    isopropanol 13.28
    water 1015.55
    ethyl acetate 4.37
    n-propanol 36.17
    acetone 3.45
    n-butanol 13.65
    acetonitrile 9.15
    DMF 114.12
    toluene 1.04
    isobutanol 10.47
    1,4-dioxane 23.98
    methyl acetate 6.89
    THF 32.07
    2-butanone 2.8
    n-pentanol 6.23
    sec-butanol 8.42
    n-hexane 0.27
    ethylene glycol 348.38
    NMP 345.78
    cyclohexane 0.48
    DMSO 48.37
    n-butyl acetate 5.38
    n-octanol 5.75
    chloroform 8.37
    n-propyl acetate 4.01
    acetic acid 491.01
    dichloromethane 11.98
    cyclohexanone 17.73
    propylene glycol 219.73
    isopropyl acetate 1.93
    DMAc 98.09
    2-ethoxyethanol 54.06
    isopentanol 4.15
    n-heptane 0.49
    ethyl formate 23.3
    1,2-dichloroethane 4.4
    n-hexanol 9.64
    2-methoxyethanol 230.46
    isobutyl acetate 2.72
    tetrachloromethane 1.87
    n-pentyl acetate 4.16
    transcutol 79.17
    n-heptanol 7.32
    ethylbenzene 1.19
    MIBK 1.26
    2-propoxyethanol 75.59
    tert-butanol 6.79
    MTBE 0.97
    2-butoxyethanol 37.69
    propionic acid 117.99
    o-xylene 2.14
    formic acid 1817.42
    diethyl ether 1.47
    m-xylene 1.55
    p-xylene 1.76
    chlorobenzene 2.25
    dimethyl carbonate 12.22
    n-octane 0.2
    formamide 744.6
    cyclopentanone 26.13
    2-pentanone 1.87
    anisole 3.98
    cyclopentyl methyl ether 7.74
    gamma-butyrolactone 102.43
    1-methoxy-2-propanol 60.12
    pyridine 14.17
    3-pentanone 1.96
    furfural 127.32
    n-dodecane 0.17
    diethylene glycol 153.25
    diisopropyl ether 0.32
    tert-amyl alcohol 6.3
    acetylacetone 4.79
    n-hexadecane 0.18
    acetophenone 8.86
    methyl propionate 10.98
    isopentyl acetate 4.09
    trichloroethylene 9.75
    n-nonanol 5.06
    cyclohexanol 12.19
    benzyl alcohol 11.71
    2-ethylhexanol 4.08
    isooctanol 4.34
    dipropyl ether 2.84
    1,2-dichlorobenzene 4.23
    ethyl lactate 19.25
    propylene carbonate 51.45
    n-methylformamide 190.95
    2-pentanol 3.04
    n-pentane 0.24
    1-propoxy-2-propanol 29.07
    1-methoxy-2-propyl acetate 12.86
    2-(2-methoxypropoxy) propanol 32.63
    mesitylene 1.05
    ε-caprolactone 42.3
    p-cymene 1.94
    epichlorohydrin 34.57
    1,1,1-trichloroethane 1.84
    2-aminoethanol 368.87
    morpholine-4-carbaldehyde 226.22
    sulfolane 131.97
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 11.26
    n-hexyl acetate 6.78
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 44.58
    sec-butyl acetate 1.89
    tert-butyl acetate 2.24
    decalin 0.38
    glycerin 499.13
    diglyme 49.81
    acrylic acid 194.17
    isopropyl myristate 1.9
    n-butyric acid 49.32
    acetyl acetate 4.96
    di(2-ethylhexyl) phthalate 9.3
    ethyl propionate 4.88
    nitromethane 141.39
    1,2-diethoxyethane 4.39
    benzonitrile 7.4
    trioctyl phosphate 5.52
    1-bromopropane 1.31
    gamma-valerolactone 113.58
    n-decanol 3.38
    triethyl phosphate 6.9
    4-methyl-2-pentanol 1.42
    propionitrile 6.15
    vinylene carbonate 65.09
    1,1,2-trichlorotrifluoroethane 138.28
    DMS 12.64
    cumene 1.4
    2-octanol 2.94
    2-hexanone 1.9
    octyl acetate 3.98
    limonene 2.21
    1,2-dimethoxyethane 26.07
    ethyl orthosilicate 5.71
    tributyl phosphate 6.09
    diacetone alcohol 10.27
    N,N-dimethylaniline 6.2
    acrylonitrile 17.43
    aniline 7.51
    1,3-propanediol 175.7
    bromobenzene 1.32
    dibromomethane 4.7
    1,1,2,2-tetrachloroethane 9.14
    2-methyl-cyclohexyl acetate 8.87
    tetrabutyl urea 10.06
    diisobutyl methanol 1.66
    2-phenylethanol 12.53
    styrene 1.07
    dioctyl adipate 6.27
    dimethyl sulfate 32.22
    ethyl butyrate 5.26
    methyl lactate 51.53
    butyl lactate 17.52
    diethyl carbonate 5.43
    propanediol butyl ether 51.51
    triethyl orthoformate 6.17
    p-tert-butyltoluene 1.86
    methyl 4-tert-butylbenzoate 17.93
    morpholine 57.13
    tert-butylamine 2.65
    n-dodecanol 2.29
    dimethoxymethane 26.7
    ethylene carbonate 37.47
    cyrene 75.74
    2-ethoxyethyl acetate 8.46
    2-ethylhexyl acetate 3.75
    1,2,4-trichlorobenzene 6.77
    4-methylpyridine 8.37
    dibutyl ether 1.62
    2,6-dimethyl-4-heptanol 1.66
    DEF 14.89
    dimethyl isosorbide 57.41
    tetrachloroethylene 8.97
    eugenol 28.57
    triacetin 18.36
    span 80 37.16
    1,4-butanediol 48.82
    1,1-dichloroethane 1.63
    2-methyl-1-pentanol 3.0
    methyl formate 101.46
    2-methyl-1-butanol 6.28
    n-decane 0.27
    butyronitrile 4.38
    3,7-dimethyl-1-octanol 3.14
    1-chlorooctane 0.98
    1-chlorotetradecane 0.46
    n-nonane 0.24
    undecane 0.21
    tert-butylcyclohexane 0.33
    cyclooctane 0.24
    cyclopentanol 25.0
    tetrahydropyran 7.05
    tert-amyl methyl ether 1.59
    2,5,8-trioxanonane 42.75
    1-hexene 0.74
    2-isopropoxyethanol 17.09
    2,2,2-trifluoroethanol 215.47
    methyl butyrate 7.45

    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