lacto-N-tetraose

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14116-68-8

    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]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.54%
    Sweet 36.56%
    Savory 21.28%
    Alcoholic 20.54%
    Cooling 18.58%
    Milky 16.58%
    Bitter 14.89%
    Caramellic 14.47%
    Fishy 13.68%
    Clean 13.56%

     

    Flavor
    Sweet 64.66%
    Odorless 54.3%
    Bitter 48.31%
    Sweet-like 33.04%
    Fatty 25.18%
    Bland 22.61%
    Cauliflower 21.91%
    Very slight 21.76%
    Very mild 21.55%
    Alkaline 20.64%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -7.9

    pKa est.
    2.44 (strong acid)

    Molecular weight
    707.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    4901°C

    Flash point

    • 280.5 ˚C est.

  • Synonyms

    • Lacto-N-tetraose
    • 14116-68-8
    • CHEBI:30248
    • beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
    • DTXSID10331554
    • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
    • N-((2S,3R,4R,5S,6R)-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxan-4-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamide
    • RefChem:152066
    • GlyTouCan:G45827GY
    • DTXCID60282648
    • G45827GY
    • 46XNQ2LX59
    • r-Lactotetraose-HSA
    • N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
    • LNT
    • Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc
    • Gal-b-1,3-GlcNAc-b-1,3-Gal-b-1,4-Glc
    • beta-Gal1,3-beta-GlcNAc1,3-beta-Gal1,4-Glc
    • D-Glucose, O-beta-D-galactopyranosyl-(1-->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-->3)-O-beta-D-galactopyranosyl-(1-->4)-
    • LC-4
    • beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
    • LC4
    • Epitope ID:142076
    • C06371
    • Lacto-N-tetraose - 90%
    • SCHEMBL19130165
    • AXQLFFDZXPOFPO-FSGZUBPKSA-N
    • MSK001236
    • AKOS024418726
    • MSK001236-100W
    • OL05683
    • DA-54765
    • OL162665
    • SY072653
    • Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)Glc
    • Lacto-N-tetraose Solution in Water, 100ug/mL
    • Lacto-N-tetraose - mixture with Lacto-N-neotetraose
    • Q27104118
    • F_FULL_31000000000000_GS_6331_c3
    • Gal-beta-(1,3)-GlcNAc-beta-(1,3)-Gal-beta-(1,4)-Glc
    • LNT; Lacto-N-tetraose; Gal-b-1,3-GlcNAc-b-1,3-Gal-b-1,4-Glc
    • D-Glucose, O-|A-D-galactopyranosyl-(1 inverted exclamation marku3)-O-2-(acetylamino)-2-deoxy-|A-D-glucopyranosyl-(1 inverted exclamation marku3)-O-|A-D-galactopyranosyl-(1 inverted exclamation marku4)-
    • N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
    • 14116-68-8

  • Applications

    lacto-N-tetraose (CAS 14116-68-8) is a defined oligosaccharide commonly evaluated as a prebiotic ingredient in infant formula and other dietary supplements; in industrial and academic settings it is used as a research reagent and intermediate for the synthesis of human milk oligosaccharides (HMOs) and related glycoconjugates; it may serve as an intermediate in the industrial production of HMOs and glycoconjugates; it has been explored for cosmetic/personal care applications as a microbiome-friendly additive; and it functions as a reference material in analytical carbohydrate analysis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.07
    methanol 21.52
    isopropanol 1.91
    water 9.49
    ethyl acetate 1.49
    n-propanol 3.05
    acetone 3.91
    n-butanol 1.77
    acetonitrile 1.4
    DMF 42.8
    toluene 0.37
    isobutanol 0.88
    1,4-dioxane 6.69
    methyl acetate 1.75
    THF 9.55
    2-butanone 2.23
    n-pentanol 0.86
    sec-butanol 1.19
    n-hexane 0.03
    ethylene glycol 16.34
    NMP 48.12
    cyclohexane 0.1
    DMSO 95.5
    n-butyl acetate 0.44
    n-octanol 0.7
    chloroform 0.57
    n-propyl acetate 0.51
    acetic acid 27.23
    dichloromethane 0.85
    cyclohexanone 3.45
    propylene glycol 11.88
    isopropyl acetate 0.71
    DMAc 37.33
    2-ethoxyethanol 10.3
    isopentanol 0.62
    n-heptane 0.08
    ethyl formate 2.37
    1,2-dichloroethane 0.74
    n-hexanol 0.51
    2-methoxyethanol 31.78
    isobutyl acetate 0.18
    tetrachloromethane 0.15
    n-pentyl acetate 0.78
    transcutol 13.01
    n-heptanol 0.79
    ethylbenzene 0.11
    MIBK 0.54
    2-propoxyethanol 5.9
    tert-butanol 0.74
    MTBE 0.38
    2-butoxyethanol 4.97
    propionic acid 4.37
    o-xylene 0.26
    formic acid 70.27
    diethyl ether 1.04
    m-xylene 0.19
    p-xylene 0.11
    chlorobenzene 0.2
    dimethyl carbonate 3.81
    n-octane 0.06
    formamide 54.66
    cyclopentanone 6.6
    2-pentanone 1.78
    anisole 0.41
    cyclopentyl methyl ether 1.92
    gamma-butyrolactone 10.08
    1-methoxy-2-propanol 13.97
    pyridine 3.45
    3-pentanone 1.43
    furfural 10.74
    n-dodecane 0.03
    diethylene glycol 12.19
    diisopropyl ether 0.13
    tert-amyl alcohol 0.67
    acetylacetone 3.19
    n-hexadecane 0.03
    acetophenone 0.79
    methyl propionate 2.87
    isopentyl acetate 0.26
    trichloroethylene 1.2
    n-nonanol 0.68
    cyclohexanol 1.21
    benzyl alcohol 1.01
    2-ethylhexanol 0.21
    isooctanol 0.4
    dipropyl ether 0.64
    1,2-dichlorobenzene 0.15
    ethyl lactate 1.48
    propylene carbonate 2.73
    n-methylformamide 20.39
    2-pentanol 0.7
    n-pentane 0.06
    1-propoxy-2-propanol 3.06
    1-methoxy-2-propyl acetate 1.82
    2-(2-methoxypropoxy) propanol 2.75
    mesitylene 0.1
    ε-caprolactone 3.72
    p-cymene 0.1
    epichlorohydrin 5.2
    1,1,1-trichloroethane 0.18
    2-aminoethanol 13.64
    morpholine-4-carbaldehyde 37.44
    sulfolane 26.46
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.5
    n-hexyl acetate 0.79
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.13
    sec-butyl acetate 0.27
    tert-butyl acetate 0.52
    decalin 0.02
    glycerin 36.6
    diglyme 9.74
    acrylic acid 8.7
    isopropyl myristate 0.21
    n-butyric acid 3.66
    acetyl acetate 1.19
    di(2-ethylhexyl) phthalate 0.4
    ethyl propionate 0.6
    nitromethane 23.69
    1,2-diethoxyethane 1.53
    benzonitrile 0.46
    trioctyl phosphate 0.36
    1-bromopropane 0.28
    gamma-valerolactone 22.37
    n-decanol 0.44
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.22
    propionitrile 0.72
    vinylene carbonate 3.16
    1,1,2-trichlorotrifluoroethane 13.59
    DMS 1.1
    cumene 0.06
    2-octanol 0.42
    2-hexanone 0.56
    octyl acetate 0.49
    limonene 0.18
    1,2-dimethoxyethane 6.59
    ethyl orthosilicate 0.32
    tributyl phosphate 0.29
    diacetone alcohol 2.4
    N,N-dimethylaniline 0.43
    acrylonitrile 1.64
    aniline 1.2
    1,3-propanediol 12.2
    bromobenzene 0.12
    dibromomethane 0.42
    1,1,2,2-tetrachloroethane 1.03
    2-methyl-cyclohexyl acetate 0.3
    tetrabutyl urea 0.75
    diisobutyl methanol 0.12
    2-phenylethanol 0.65
    styrene 0.13
    dioctyl adipate 0.56
    dimethyl sulfate 10.44
    ethyl butyrate 0.49
    methyl lactate 8.08
    butyl lactate 1.53
    diethyl carbonate 0.3
    propanediol butyl ether 5.9
    triethyl orthoformate 0.58
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.43
    morpholine 11.06
    tert-butylamine 0.22
    n-dodecanol 0.28
    dimethoxymethane 12.87
    ethylene carbonate 2.09
    cyrene 5.72
    2-ethoxyethyl acetate 2.08
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 1.75
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.12
    DEF 5.29
    dimethyl isosorbide 3.9
    tetrachloroethylene 0.9
    eugenol 1.61
    triacetin 1.91
    span 80 3.07
    1,4-butanediol 3.98
    1,1-dichloroethane 0.32
    2-methyl-1-pentanol 0.35
    methyl formate 13.67
    2-methyl-1-butanol 0.76
    n-decane 0.07
    butyronitrile 0.63
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.16
    1-chlorotetradecane 0.06
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 2.21
    tetrahydropyran 2.28
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 6.55
    1-hexene 0.09
    2-isopropoxyethanol 2.94
    2,2,2-trifluoroethanol 13.33
    methyl butyrate 0.89

    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