Lacto-N-neotetraose

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  • Identifiers

    CAS number
    13007-32-4

    Molecular formula
    C26H45NO21

    SMILES
    CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.62%
    Sweet 36.95%
    Savory 22.93%
    Alcoholic 19.68%
    Cooling 18.63%
    Milky 17.23%
    Bitter 15.42%
    Caramellic 14.87%
    Buttery 13.77%
    Clean 13.75%

     

    Flavor
    Odorless 57.38%
    Sweet 48.84%
    Bitter 47.38%
    Sweet-like 33.84%
    Bland 26.33%
    Very mild 25.43%
    Very slight 21.6%
    Cauliflower 21.0%
    Alkaline 20.13%
    Fatty 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -8.8

    pKa est.
    2.79 (strong acid)

    Molecular weight
    707.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    4922°C

    Flash point

    • 306.98 ˚C est.

  • Synonyms

    • lacto-N-neotetraose
    • 13007-32-4
    • BY63N40B1L
    • N-NEOTETRAOSE
    • DTXSID10926585
    • RefChem:798363
    • DTXCID001355397
    • D-GLUCOSE, O-BETA-D-GALACTOPYRANOSYL-(1->4)-O-2-(ACETYLAMINO)-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GALACTOPYRANOSYL-(1->4)-
    • LNnT
    • Neolactotetraose
    • N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
    • Lactulose Impurity 26
    • Gal-b-1,4-GlcNAc-b-1,3-Gal-b-1,4-Glc
    • UNII-BY63N40B1L
    • orb1981755
    • SCHEMBL19125559
    • HY-N9445
    • MSK168775
    • OL05765
    • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
    • CS-0173195
    • Q27274961
    • LNnT; Lacto-N-neotetraose; Gal-b-1,4-GlcNAc-b-1,3-Gal-b-1,4-Glc
    • beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucose
    • D-GLUCOSE, O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-
    • D-Glucose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-
    • GLUCOPYRANOSE, O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-2-ACETAMIDO-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-, D-
    • N-((2S,3R,4R,5S,6R)-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
    • N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
    • 13007-32-4

  • Applications

    Lacto-N-neotetraose (CAS 13007-32-4) is used primarily as a prebiotic ingredient in infant formula and other specialized nutrition products to support gut microbiota; it is also evaluated for inclusion in dietary supplements and functional foods to promote gut health. It is being explored as a prebiotic additive in animal nutrition to support gut health; in cosmetics and personal care, LNnT is investigated as a potential ingredient to support the skin microbiome and moisturization properties. Additionally, LNnT remains a focus of ongoing research in clinical nutrition and human microbiome studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.37
    methanol 21.88
    isopropanol 1.99
    water 18.23
    ethyl acetate 1.52
    n-propanol 3.11
    acetone 4.56
    n-butanol 1.81
    acetonitrile 1.61
    DMF 46.08
    toluene 0.37
    isobutanol 0.89
    1,4-dioxane 5.84
    methyl acetate 1.8
    THF 8.34
    2-butanone 2.39
    n-pentanol 0.87
    sec-butanol 1.19
    n-hexane 0.03
    ethylene glycol 19.73
    NMP 51.12
    cyclohexane 0.1
    DMSO 108.59
    n-butyl acetate 0.41
    n-octanol 0.62
    chloroform 0.54
    n-propyl acetate 0.51
    acetic acid 34.07
    dichloromethane 0.83
    cyclohexanone 3.55
    propylene glycol 13.67
    isopropyl acetate 0.73
    DMAc 38.52
    2-ethoxyethanol 9.91
    isopentanol 0.64
    n-heptane 0.08
    ethyl formate 2.46
    1,2-dichloroethane 0.73
    n-hexanol 0.5
    2-methoxyethanol 32.12
    isobutyl acetate 0.18
    tetrachloromethane 0.16
    n-pentyl acetate 0.67
    transcutol 11.73
    n-heptanol 0.74
    ethylbenzene 0.12
    MIBK 0.55
    2-propoxyethanol 5.35
    tert-butanol 0.76
    MTBE 0.35
    2-butoxyethanol 4.35
    propionic acid 4.89
    o-xylene 0.26
    formic acid 87.03
    diethyl ether 0.94
    m-xylene 0.19
    p-xylene 0.12
    chlorobenzene 0.19
    dimethyl carbonate 4.08
    n-octane 0.06
    formamide 67.05
    cyclopentanone 6.9
    2-pentanone 1.83
    anisole 0.42
    cyclopentyl methyl ether 1.76
    gamma-butyrolactone 9.91
    1-methoxy-2-propanol 13.72
    pyridine 3.33
    3-pentanone 1.47
    furfural 10.93
    n-dodecane 0.03
    diethylene glycol 12.1
    diisopropyl ether 0.13
    tert-amyl alcohol 0.69
    acetylacetone 3.57
    n-hexadecane 0.03
    acetophenone 0.82
    methyl propionate 2.98
    isopentyl acetate 0.25
    trichloroethylene 1.17
    n-nonanol 0.59
    cyclohexanol 1.28
    benzyl alcohol 1.03
    2-ethylhexanol 0.21
    isooctanol 0.37
    dipropyl ether 0.59
    1,2-dichlorobenzene 0.15
    ethyl lactate 1.58
    propylene carbonate 2.85
    n-methylformamide 22.91
    2-pentanol 0.72
    n-pentane 0.06
    1-propoxy-2-propanol 2.79
    1-methoxy-2-propyl acetate 1.73
    2-(2-methoxypropoxy) propanol 2.5
    mesitylene 0.1
    ε-caprolactone 3.66
    p-cymene 0.09
    epichlorohydrin 4.84
    1,1,1-trichloroethane 0.2
    2-aminoethanol 15.89
    morpholine-4-carbaldehyde 37.5
    sulfolane 27.95
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.25
    n-hexyl acetate 0.67
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.66
    sec-butyl acetate 0.26
    tert-butyl acetate 0.52
    decalin 0.02
    glycerin 42.29
    diglyme 8.55
    acrylic acid 10.09
    isopropyl myristate 0.19
    n-butyric acid 3.86
    acetyl acetate 1.29
    di(2-ethylhexyl) phthalate 0.36
    ethyl propionate 0.61
    nitromethane 27.87
    1,2-diethoxyethane 1.27
    benzonitrile 0.47
    trioctyl phosphate 0.34
    1-bromopropane 0.28
    gamma-valerolactone 22.53
    n-decanol 0.39
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.23
    propionitrile 0.82
    vinylene carbonate 3.31
    1,1,2-trichlorotrifluoroethane 13.8
    DMS 1.08
    cumene 0.06
    2-octanol 0.38
    2-hexanone 0.58
    octyl acetate 0.44
    limonene 0.17
    1,2-dimethoxyethane 6.05
    ethyl orthosilicate 0.31
    tributyl phosphate 0.28
    diacetone alcohol 2.49
    N,N-dimethylaniline 0.42
    acrylonitrile 1.85
    aniline 1.17
    1,3-propanediol 13.36
    bromobenzene 0.12
    dibromomethane 0.41
    1,1,2,2-tetrachloroethane 1.03
    2-methyl-cyclohexyl acetate 0.3
    tetrabutyl urea 0.72
    diisobutyl methanol 0.11
    2-phenylethanol 0.63
    styrene 0.14
    dioctyl adipate 0.51
    dimethyl sulfate 11.12
    ethyl butyrate 0.48
    methyl lactate 8.59
    butyl lactate 1.45
    diethyl carbonate 0.31
    propanediol butyl ether 5.44
    triethyl orthoformate 0.53
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.33
    morpholine 10.16
    tert-butylamine 0.23
    n-dodecanol 0.26
    dimethoxymethane 11.94
    ethylene carbonate 2.18
    cyrene 5.99
    2-ethoxyethyl acetate 1.8
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 1.71
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.11
    DEF 5.2
    dimethyl isosorbide 3.56
    tetrachloroethylene 0.9
    eugenol 1.5
    triacetin 1.77
    span 80 2.82
    1,4-butanediol 4.4
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.36
    methyl formate 15.02
    2-methyl-1-butanol 0.76
    n-decane 0.06
    butyronitrile 0.68
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.06
    cyclopentanol 2.35
    tetrahydropyran 2.1
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 5.93
    1-hexene 0.1
    2-isopropoxyethanol 2.83
    2,2,2-trifluoroethanol 16.1
    methyl butyrate 0.9

    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