Lentinic acid

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  • Identifiers

    CAS number
    12705-98-5

    Molecular formula
    C12H22N2O10S4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.13%
    Savory 43.91%
    Meaty 40.09%
    Roasted 34.85%
    Cooked 33.1%
    Sulfurous 30.85%
    Onion 23.69%
    Pungent 22.26%
    Sweet 20.51%
    Garlic 20.47%

     

    Flavor
    Bitter 64.69%
    Odorless 40.64%
    Bland 29.6%
    Cooked 24.85%
    Mild 22.52%
    Very mild 22.0%
    Roasted 21.81%
    Yeast 20.67%
    Taco 20.56%
    Sweet-like 20.46%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -7.0

    pKa est.
    -2.33 (strong acid)

    Molecular weight
    482.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    616°C

    Flash point

    • 492.1 ˚C est.

  • Synonyms

    • UNII-O5E8JNU28P
    • O5E8JNU28P
    • 15-Amino-10-carboxy-12-oxo-2,4,6,8-tetrathia-11-azahexadecan-16-oic acid 2,2,4,6,8-pentaoxide
    • 2-Amino-4-((Z)-(1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-c-hydroxycarbonimidoyl)butanoic acid
    • 2-Amino-5-((1-carboxy-2-(methylsulfonylmethylsulfinylmethylsulfinylmethylsulfinyl)ethyl)amino)-5-oxopentanoic acid
    • gamma-Glutamyl-3-(((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)sulfinyl)alanine
    • L-Alanine, N-L-gamma-glutamyl-3-(((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)sulfinyl)-
    • .GAMMA.-GLUTAMYL-3-(((((((METHYLSULFONYL)METHYL)SULFINYL)METHYL)SULFINYL)METHYL)SULFINYL)ALANINE
    • L-ALANINE, N-L-.GAMMA.-GLUTAMYL-3-(((((((METHYLSULFONYL)METHYL)SULFINYL)METHYL)SULFINYL)METHYL)SULFINYL)-
    • L-CYSTEINE, L-.GAMMA.-GLUTAMYL-S-((((((METHYLSULFONYL)METHYL)SULFINYL)METHYL)SULFINYL)METHYL)-, S-OXIDE
    • L-Cysteine, L-gamma-glutamyl-S-((((((methylsulfonyl)methyl)sulfinyl)methyl)sulfinyl)methyl)-, S-oxide
    • Lentinate
    • 2-Amino-4-((1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-C-hydroxycarbonimidoyl)butanoate
    • 2-Amino-4-((1-carboxy-2-methanesulphonylmethanesulphinylmethanesulphinylmethanesulphinylethyl)-C-hydroxycarbonimidoyl)butanoate
    • 2-Amino-4-((1-carboxy-2-methanesulphonylmethanesulphinylmethanesulphinylmethanesulphinylethyl)-C-hydroxycarbonimidoyl)butanoic acid
    • 2-Amino-4-[(1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-C-hydroxycarbonimidoyl]butanoate
    • 2-Amino-4-[(1-carboxy-2-methanesulphonylmethanesulphinylmethanesulphinylmethanesulphinylethyl)-C-hydroxycarbonimidoyl]butanoate
    • 2-Amino-4-[(1-carboxy-2-methanesulphonylmethanesulphinylmethanesulphinylmethanesulphinylethyl)-C-hydroxycarbonimidoyl]butanoic acid
    • RefChem:152749
    • 2-amino-4-((1-carboxy-2-(((methanesulfonylmethane)sulfinylmethane)sulfinylmethane)sulfinylethyl)carbamoyl)butanoic acid
    • 2-amino-4-[(1-carboxy-2-{[(methanesulfonylmethane)sulfinylmethane]sulfinylmethane}sulfinylethyl)carbamoyl]butanoic acid
    • (Lentinic acid)
    • 12705-98-5
    • Lentinic acid
    • Q27285366
    • 12705-98-5

  • Applications

    Lentinic acid (CAS 12705-98-5) is a natural fatty acid found in mushrooms and other biological sources; in industry it is commonly used as a feedstock for the synthesis of esters that serve as surfactants and lubricants, and as an ingredient in cosmetics/personal care in fatty-acid form or as ester derivatives to improve texture and moisturization. It may be used as a chemical intermediate for polymers and polymer modifiers, and as a building block for coatings and inks, as well as in cleaning formulations based on fatty acids. Depending on local regulations, lentinic acid may be considered an intermediate in chemical synthesis and esterification to generate derivatives for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.33
    methanol 2.39
    isopropanol 0.09
    water 5.52
    ethyl acetate 0.1
    n-propanol 0.19
    acetone 0.7
    n-butanol 0.09
    acetonitrile 0.28
    DMF 31.9
    toluene 0.03
    isobutanol 0.07
    1,4-dioxane 0.54
    methyl acetate 0.17
    THF 0.97
    2-butanone 0.28
    n-pentanol 0.05
    sec-butanol 0.07
    n-hexane 0.01
    ethylene glycol 2.19
    NMP 35.04
    cyclohexane 0.02
    DMSO 23.42
    n-butyl acetate 0.07
    n-octanol 0.05
    chloroform 0.03
    n-propyl acetate 0.1
    acetic acid 2.27
    dichloromethane 0.07
    cyclohexanone 0.66
    propylene glycol 1.44
    isopropyl acetate 0.07
    DMAc 17.28
    2-ethoxyethanol 1.6
    isopentanol 0.05
    n-heptane 0.01
    ethyl formate 0.33
    1,2-dichloroethane 0.07
    n-hexanol 0.04
    2-methoxyethanol 5.86
    isobutyl acetate 0.04
    tetrachloromethane 0.01
    n-pentyl acetate 0.06
    transcutol 2.54
    n-heptanol 0.06
    ethylbenzene 0.02
    MIBK 0.12
    2-propoxyethanol 1.15
    tert-butanol 0.07
    MTBE 0.03
    2-butoxyethanol 0.62
    propionic acid 0.45
    o-xylene 0.04
    formic acid 19.09
    diethyl ether 0.07
    m-xylene 0.02
    p-xylene 0.03
    chlorobenzene 0.02
    dimethyl carbonate 0.61
    n-octane 0.01
    formamide 23.4
    cyclopentanone 1.57
    2-pentanone 0.21
    anisole 0.14
    cyclopentyl methyl ether 0.26
    gamma-butyrolactone 2.02
    1-methoxy-2-propanol 2.43
    pyridine 0.45
    3-pentanone 0.23
    furfural 4.29
    n-dodecane 0.0
    diethylene glycol 3.01
    diisopropyl ether 0.02
    tert-amyl alcohol 0.06
    acetylacetone 0.68
    n-hexadecane 0.0
    acetophenone 0.33
    methyl propionate 0.31
    isopentyl acetate 0.06
    trichloroethylene 0.11
    n-nonanol 0.06
    cyclohexanol 0.1
    benzyl alcohol 0.17
    2-ethylhexanol 0.03
    isooctanol 0.03
    dipropyl ether 0.11
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.49
    propylene carbonate 0.58
    n-methylformamide 8.41
    2-pentanol 0.04
    n-pentane 0.01
    1-propoxy-2-propanol 0.63
    1-methoxy-2-propyl acetate 0.35
    2-(2-methoxypropoxy) propanol 0.99
    mesitylene 0.02
    ε-caprolactone 0.53
    p-cymene 0.02
    epichlorohydrin 0.59
    1,1,1-trichloroethane 0.01
    2-aminoethanol 2.02
    morpholine-4-carbaldehyde 14.1
    sulfolane 9.59
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.18
    n-hexyl acetate 0.08
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.16
    sec-butyl acetate 0.05
    tert-butyl acetate 0.09
    decalin 0.01
    glycerin 10.38
    diglyme 2.97
    acrylic acid 1.1
    isopropyl myristate 0.03
    n-butyric acid 0.28
    acetyl acetate 0.12
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.14
    nitromethane 5.53
    1,2-diethoxyethane 0.18
    benzonitrile 0.11
    trioctyl phosphate 0.05
    1-bromopropane 0.02
    gamma-valerolactone 5.64
    n-decanol 0.04
    triethyl phosphate 0.16
    4-methyl-2-pentanol 0.02
    propionitrile 0.13
    vinylene carbonate 0.73
    1,1,2-trichlorotrifluoroethane 2.73
    DMS 0.18
    cumene 0.02
    2-octanol 0.03
    2-hexanone 0.14
    octyl acetate 0.05
    limonene 0.04
    1,2-dimethoxyethane 2.45
    ethyl orthosilicate 0.12
    tributyl phosphate 0.08
    diacetone alcohol 0.52
    N,N-dimethylaniline 0.22
    acrylonitrile 0.35
    aniline 0.11
    1,3-propanediol 1.05
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.1
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.3
    diisobutyl methanol 0.02
    2-phenylethanol 0.1
    styrene 0.03
    dioctyl adipate 0.1
    dimethyl sulfate 2.57
    ethyl butyrate 0.15
    methyl lactate 1.7
    butyl lactate 0.26
    diethyl carbonate 0.11
    propanediol butyl ether 0.72
    triethyl orthoformate 0.19
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.42
    morpholine 0.95
    tert-butylamine 0.03
    n-dodecanol 0.03
    dimethoxymethane 3.25
    ethylene carbonate 0.35
    cyrene 3.09
    2-ethoxyethyl acetate 0.16
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.24
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.02
    DEF 1.13
    dimethyl isosorbide 2.32
    tetrachloroethylene 0.09
    eugenol 0.68
    triacetin 0.29
    span 80 0.48
    1,4-butanediol 0.38
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.04
    methyl formate 4.83
    2-methyl-1-butanol 0.06
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.19
    tetrahydropyran 0.16
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 2.5
    1-hexene 0.02
    2-isopropoxyethanol 0.44
    2,2,2-trifluoroethanol 1.53
    methyl butyrate 0.26

    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