Methyl Aminolevulinate Hydrochloride

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  • Identifiers

    CAS number
    79416-27-6

    Molecular formula
    C6H12ClNO3

    SMILES
    COC(=O)CCC(=O)CN.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 39.3%
    Sweet 38.09%
    Fruity 34.94%
    Buttery 34.14%
    Odorless 28.28%
    Nutty 26.57%
    Fatty 24.21%
    Roasted 23.57%
    Burnt 22.86%
    Ethereal 22.29%

     

    Flavor
    Fruity 58.22%
    Sweet 32.3%
    Caramel 28.42%
    Creamy 26.56%
    Odorless 26.2%
    Grape 25.63%
    Buttery 25.28%
    Cooked 25.05%
    Cheese 24.95%
    Berry 23.17%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.47 (neutral)

    Molecular weight
    181.62 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    265°C

    Flash point

    • 115.29 ˚C est.

  • Synonyms

    • Methyl 5-amino-4-oxopentanoate hydrochloride
    • Methyl aminolevulinate hydrochloride
    • 5-AMINOLEVULINIC ACID METHYL ESTER HYDROCHLORIDE
    • Methyl 5-Aminolevulinate Hydrochloride
    • Methyl aminolevulinate HCl
    • Metvix PDT
    • P-1202
    • Pentanoic acid, 5-amino-4-oxo-, methyl ester, hydrochloride
    • DTXSID4045630
    • UNII-7S73606O1A
    • EINECS 279-151-1
    • 7S73606O1A
    • DTXCID2025630
    • P 1212
    • METHYLAMINOLEVULINATE HYDROCHLORIDE
    • METHYL-5-AMINOLEVULINATE HYDROCHLORIDE
    • CHEBI:60641
    • METHYL AMINOLEVULINATE HYDROCHLORIDE (MART.)
    • METHYL AMINOLEVULINATE HYDROCHLORIDE [MART.]
    • RefChem:58807
    • 279-151-1
    • 5-methoxy-2,5-dioxopentan-1-aminium chloride
    • methyl 5-amino-4-oxovalerate HCl
    • methyl 5-aminolevulinate HCl
    • methyl delta-aminolevulinate HCl
    • methyl delta-aminolevulinate hydrochloride
    • 79416-27-6
    • Metvixia
    • MFCD00012868
    • Methyl aminolevulinate (hydrochloride)
    • 79416-27-6 (HCl salt)
    • Methyl aminolevulinate hydrochloride [USAN]
    • MLS000028575
    • methyl 5-amino-4-oxo-pentanoate hydrochloride
    • 5-Aminolevulinic acid methyl ester, HCl
    • SMR000058997
    • LS-187769
    • 5-Amino-4-oxovaleric Acid Methyl Ester Hydrochloride
    • Methyl aminolevulinate hydrochloride (USAN)
    • NCGC00018251-03
    • Metvixia (TN)
    • 3-Aminoacetylpropionic Acid Methyl Ester Hydrochloride
    • Opera_ID_978
    • orb1302259
    • SCHEMBL1177591
    • CHEMBL1201093
    • HY-A0169A
    • HMS5084A16
    • HMS6018G17
    • Tox21_110849
    • EBC-14842
    • s5372
    • Methyl ?-aminolevulinate hydrochloride
    • AKOS015845944
    • Methylaminolevulinate Hydrochloride CRS
    • AC-5302
    • CCG-266438
    • CS-W009212
    • IA16049
    • 5-Amino-4-oxopentanoic acid methyl ester
    • AS-20128
    • SY023721
    • Methyl 5-Aminolevulinic acid hydrochloride
    • CAS-79416-27-6
    • DB-056363
    • METHYL 5-AMINO-4-OXOPENTANOATE HCL
    • A1411
    • methyl 5-amino-4-oxopentanoate;hydrochloride
    • NS00090609
    • Aminolevulinic acid methyl ester Hydrochloride
    • methyl 5-amino-4-oxo-pentanoate;hydrochloride
    • A11122
    • D04988
    • EN300-325190
    • SBI-0654042.0001
    • METHYL AMINOLEVULINATE HYDROCHLORIDE [MI]
    • 416A276
    • F226114
    • delta-aminolevulinic acid methyl ester hydrochloride
    • METHYL AMINOLEVULINATE HYDROCHLORIDE [WHO-DD]
    • Q27128288
    • METHYL AMINOLEVULINATE HYDROCHLORIDE [ORANGE BOOK]
    • Methyl delta-aminolevulinate hydrochloride, >=98% (TLC)
    • Z3015912776
    • Methyl 5-amino-4-oxopentanoate--hydrogen chloride (1/1)
    • 5-amino-4-oxo-pentanoic acid methyl ester hydrochloride salt
    • 79416-27-6

  • Applications

    Methyl Aminolevulinate Hydrochloride, CAS 79416-27-6, is used in pharmaceutical contexts as a photosensitizer to enable light-activated approaches in dermatology-related formulations and research; it also serves as a precursor for synthesizing porphyrin-based compounds and fluorescent markers used in biomedical research. In industrial manufacturing, MAL-HCl acts as an intermediate for preparing porphyrin-based photosensitizers and dyes to support the development of photoactive materials, quality-control assays, and coatings, inks, and printed-electronics applications. In the field of materials and sensing, it is evaluated as a precursor for porphyrin-based systems intended to develop optical sensors and light-detection devices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.57
    methanol 201.39
    isopropanol 30.09
    water 193.25
    ethyl acetate 9.52
    n-propanol 31.58
    acetone 32.44
    n-butanol 23.46
    acetonitrile 37.59
    DMF 375.41
    toluene 3.68
    isobutanol 19.66
    1,4-dioxane 60.23
    methyl acetate 21.27
    THF 70.46
    2-butanone 20.37
    n-pentanol 14.65
    sec-butanol 18.93
    n-hexane 0.54
    ethylene glycol 45.98
    NMP 400.08
    cyclohexane 1.35
    DMSO 335.49
    n-butyl acetate 4.59
    n-octanol 4.67
    chloroform 11.29
    n-propyl acetate 6.77
    acetic acid 175.05
    dichloromethane 20.92
    cyclohexanone 45.87
    propylene glycol 28.15
    isopropyl acetate 5.33
    DMAc 336.75
    2-ethoxyethanol 55.89
    isopentanol 17.94
    n-heptane 0.44
    ethyl formate 38.6
    1,2-dichloroethane 13.57
    n-hexanol 5.71
    2-methoxyethanol 120.59
    isobutyl acetate 3.9
    tetrachloromethane 2.94
    n-pentyl acetate 4.9
    transcutol 92.47
    n-heptanol 4.69
    ethylbenzene 2.48
    MIBK 6.55
    2-propoxyethanol 22.82
    tert-butanol 30.11
    MTBE 10.92
    2-butoxyethanol 19.12
    propionic acid 43.92
    o-xylene 5.42
    formic acid 386.03
    diethyl ether 7.15
    m-xylene 2.95
    p-xylene 4.88
    chlorobenzene 6.15
    dimethyl carbonate 13.81
    n-octane 0.28
    formamide 425.12
    cyclopentanone 74.2
    2-pentanone 10.15
    anisole 12.81
    cyclopentyl methyl ether 14.93
    gamma-butyrolactone 110.67
    1-methoxy-2-propanol 44.28
    pyridine 46.19
    3-pentanone 9.02
    furfural 163.86
    n-dodecane 0.24
    diethylene glycol 40.59
    diisopropyl ether 1.59
    tert-amyl alcohol 24.11
    acetylacetone 19.03
    n-hexadecane 0.26
    acetophenone 17.62
    methyl propionate 13.56
    isopentyl acetate 5.33
    trichloroethylene 22.51
    n-nonanol 4.3
    cyclohexanol 17.64
    benzyl alcohol 19.79
    2-ethylhexanol 3.52
    isooctanol 3.93
    dipropyl ether 3.22
    1,2-dichlorobenzene 7.49
    ethyl lactate 11.12
    propylene carbonate 46.72
    n-methylformamide 181.36
    2-pentanol 7.64
    n-pentane 0.64
    1-propoxy-2-propanol 11.84
    1-methoxy-2-propyl acetate 8.83
    2-(2-methoxypropoxy) propanol 25.65
    mesitylene 2.18
    ε-caprolactone 42.61
    p-cymene 1.92
    epichlorohydrin 65.37
    1,1,1-trichloroethane 5.7
    2-aminoethanol 64.02
    morpholine-4-carbaldehyde 206.81
    sulfolane 166.49
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 36.12
    n-hexyl acetate 7.12
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 30.91
    sec-butyl acetate 3.93
    tert-butyl acetate 6.77
    decalin 0.64
    glycerin 68.92
    diglyme 68.87
    acrylic acid 65.58
    isopropyl myristate 2.9
    n-butyric acid 37.36
    acetyl acetate 12.38
    di(2-ethylhexyl) phthalate 7.89
    ethyl propionate 6.55
    nitromethane 230.23
    1,2-diethoxyethane 10.9
    benzonitrile 19.03
    trioctyl phosphate 4.09
    1-bromopropane 4.0
    gamma-valerolactone 135.61
    n-decanol 3.01
    triethyl phosphate 7.14
    4-methyl-2-pentanol 4.26
    propionitrile 18.98
    vinylene carbonate 49.28
    1,1,2-trichlorotrifluoroethane 72.37
    DMS 10.65
    cumene 2.21
    2-octanol 2.69
    2-hexanone 7.58
    octyl acetate 4.3
    limonene 2.6
    1,2-dimethoxyethane 78.95
    ethyl orthosilicate 6.4
    tributyl phosphate 5.37
    diacetone alcohol 17.88
    N,N-dimethylaniline 13.23
    acrylonitrile 36.41
    aniline 18.0
    1,3-propanediol 67.27
    bromobenzene 3.98
    dibromomethane 8.71
    1,1,2,2-tetrachloroethane 17.51
    2-methyl-cyclohexyl acetate 7.9
    tetrabutyl urea 9.31
    diisobutyl methanol 2.21
    2-phenylethanol 9.03
    styrene 3.45
    dioctyl adipate 7.96
    dimethyl sulfate 41.13
    ethyl butyrate 5.91
    methyl lactate 22.22
    butyl lactate 8.75
    diethyl carbonate 5.95
    propanediol butyl ether 21.69
    triethyl orthoformate 6.66
    p-tert-butyltoluene 1.69
    methyl 4-tert-butylbenzoate 15.73
    morpholine 84.13
    tert-butylamine 12.0
    n-dodecanol 2.21
    dimethoxymethane 48.36
    ethylene carbonate 33.49
    cyrene 41.36
    2-ethoxyethyl acetate 10.7
    2-ethylhexyl acetate 4.11
    1,2,4-trichlorobenzene 10.77
    4-methylpyridine 37.55
    dibutyl ether 3.6
    2,6-dimethyl-4-heptanol 2.21
    DEF 48.7
    dimethyl isosorbide 40.79
    tetrachloroethylene 15.46
    eugenol 19.73
    triacetin 15.52
    span 80 17.33
    1,4-butanediol 27.47
    1,1-dichloroethane 6.01
    2-methyl-1-pentanol 12.24
    methyl formate 109.81
    2-methyl-1-butanol 17.8
    n-decane 0.39
    butyronitrile 20.37
    3,7-dimethyl-1-octanol 4.23
    1-chlorooctane 1.43
    1-chlorotetradecane 0.65
    n-nonane 0.36
    undecane 0.29
    tert-butylcyclohexane 0.48
    cyclooctane 0.53
    cyclopentanol 28.5
    tetrahydropyran 23.34
    tert-amyl methyl ether 9.34
    2,5,8-trioxanonane 54.83
    1-hexene 1.82
    2-isopropoxyethanol 23.42
    2,2,2-trifluoroethanol 76.06
    methyl butyrate 13.04

    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