Chondroitin Sulfate

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  • Identifiers

    CAS number
    9007-28-7

    Molecular formula
    C13H21NO15S

    SMILES
    CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 89.01%
    Savory 25.22%
    Meaty 17.36%
    Cooked 15.36%
    Cooling 14.25%
    Milky 13.69%
    Roasted 13.35%
    Clean 12.97%
    Bitter 12.6%
    Burnt 12.2%

     

    Flavor
    Bitter 74.36%
    Odorless 44.25%
    Bland 28.51%
    Sweet-like 24.47%
    Very mild 24.26%
    Cedarleaf 19.5%
    Yeast 19.44%
    Nitrile 19.4%
    Mild 19.11%
    Formyl 19.06%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -4.8

    pKa est.
    2.73 (strong acid)

    Molecular weight
    463.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3689°C

    Melting point expt.

    • 190-194ºC

    Flash point

    • 258.89 ˚C est.

    Solubility expt.

    • Soluble

  • Synonyms

    • Chondroitin sulfate
    • 9007-28-7
    • Chondroitin, hydrogen sulfate
    • (2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
    • (2S,3S,4S,5R,6R)-6-(((2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
    • RefChem:7109
    • DTXSID8031021
    • CHEBI:37397
    • Chondroitine sulfate
    • Sodium chondroitin sulfate
    • Chondroitin 4-sulfate sodium salt
    • 39455-18-0
    • chondroitin sulfate A
    • (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • MFCD00146419
    • Condrosulf
    • Chondroitinsulfate C
    • C13H21NO15S
    • Chondroitin 4 and 6 sulfate
    • Chondron
    • Structum
    • Gepan
    • Uropol S
    • EINECS 246-844-5
    • Chondroitin sulfate sodium salt from shark cartilage
    • UNII-7LWQ6472SP
    • SCHEMBL4577901
    • CHEMBL5266347
    • Chondroitin sulfate A sodium salt
    • DTXSID601017238
    • (2S,3S,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxy-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
    • Chondroitin Sulfate, Bovine Trachea
    • MSK11005
    • Chondroitin sulfate A sodium salt - Average MW 20,000 - 30,000
    • AKOS015896487
    • ND 3482
    • YC15288
    • YC31416
    • Poly-1(2/3)-N-acetyl-2-amino-2-deoxy-3-O-beta-D-glucopyranurosyl-4-(6)sulfonyl-D-galactose
    • NCGC00390235-01
    • YC165869
    • YC178504
    • Chondroitin, hydrogen sulfate, sodium salt
    • NS00014054
    • D85172
    • Chondroitin sulfate A sodium salt - 90%, from Bovine Cartilage
    • Chondroitin sulfate A sodium salt - Average MW 10,000 - 30,000
    • Chondroitin sulfate A sodium salt - Average MW 10,000 - 50,000
    • Alternating Copoly b-glucuronic acid-(1?3)-N-acetyl-b-galactosamine-4-sulfate-(1?4)
    • Alternating Copoly beta-glucuronic acid-(1?3)-N-acetyl-beta-galactosamine-4-sulfate-(1?4)
    • (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
    • (2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidEE
    • 9007-28-7

  • Applications

    Chondroitin Sulfate (CAS 9007-28-7) is a sulfated glycosaminoglycan used across several industries as a polymeric ingredient: in cosmetics and personal care as a moisturizing agent and rheology modifier for creams, gels, and serums; in pharmaceuticals as an excipient and matrix component for topical and oral formulations and wound-dressing hydrogels; in polymers/plastics as a rheology modifier and gel-forming additive to improve texture and processing of polymer-based products; and in biomaterials/hydrogel applications as a matrix for cartilage repair and tissue engineering. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.2
    methanol 4.05
    isopropanol 0.44
    water 29.08
    ethyl acetate 0.18
    n-propanol 0.66
    acetone 1.25
    n-butanol 0.35
    acetonitrile 0.48
    DMF 31.81
    toluene 0.08
    isobutanol 0.2
    1,4-dioxane 1.05
    methyl acetate 0.28
    THF 1.2
    2-butanone 0.48
    n-pentanol 0.15
    sec-butanol 0.29
    n-hexane 0.02
    ethylene glycol 8.48
    NMP 25.6
    cyclohexane 0.08
    DMSO 77.51
    n-butyl acetate 0.13
    n-octanol 0.15
    chloroform 0.05
    n-propyl acetate 0.11
    acetic acid 5.64
    dichloromethane 0.11
    cyclohexanone 0.91
    propylene glycol 4.51
    isopropyl acetate 0.11
    DMAc 19.97
    2-ethoxyethanol 2.96
    isopentanol 0.16
    n-heptane 0.06
    ethyl formate 0.53
    1,2-dichloroethane 0.14
    n-hexanol 0.16
    2-methoxyethanol 12.4
    isobutyl acetate 0.03
    tetrachloromethane 0.03
    n-pentyl acetate 0.1
    transcutol 2.43
    n-heptanol 0.21
    ethylbenzene 0.04
    MIBK 0.15
    2-propoxyethanol 2.15
    tert-butanol 0.29
    MTBE 0.07
    2-butoxyethanol 1.21
    propionic acid 0.94
    o-xylene 0.1
    formic acid 46.05
    diethyl ether 0.22
    m-xylene 0.06
    p-xylene 0.04
    chlorobenzene 0.02
    dimethyl carbonate 0.93
    n-octane 0.03
    formamide 43.49
    cyclopentanone 1.41
    2-pentanone 0.39
    anisole 0.1
    cyclopentyl methyl ether 0.44
    gamma-butyrolactone 1.76
    1-methoxy-2-propanol 4.71
    pyridine 0.73
    3-pentanone 0.39
    furfural 3.13
    n-dodecane 0.02
    diethylene glycol 6.83
    diisopropyl ether 0.05
    tert-amyl alcohol 0.22
    acetylacetone 0.85
    n-hexadecane 0.02
    acetophenone 0.21
    methyl propionate 0.51
    isopentyl acetate 0.08
    trichloroethylene 0.15
    n-nonanol 0.16
    cyclohexanol 0.39
    benzyl alcohol 0.21
    2-ethylhexanol 0.09
    isooctanol 0.1
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.51
    propylene carbonate 0.46
    n-methylformamide 10.24
    2-pentanol 0.18
    n-pentane 0.04
    1-propoxy-2-propanol 1.01
    1-methoxy-2-propyl acetate 0.41
    2-(2-methoxypropoxy) propanol 1.0
    mesitylene 0.04
    ε-caprolactone 0.66
    p-cymene 0.05
    epichlorohydrin 0.67
    1,1,1-trichloroethane 0.02
    2-aminoethanol 6.0
    morpholine-4-carbaldehyde 12.63
    sulfolane 9.13
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.37
    n-hexyl acetate 0.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.59
    sec-butyl acetate 0.05
    tert-butyl acetate 0.11
    decalin 0.01
    glycerin 25.21
    diglyme 3.13
    acrylic acid 2.14
    isopropyl myristate 0.04
    n-butyric acid 0.56
    acetyl acetate 0.16
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.14
    nitromethane 7.11
    1,2-diethoxyethane 0.27
    benzonitrile 0.11
    trioctyl phosphate 0.09
    1-bromopropane 0.06
    gamma-valerolactone 4.65
    n-decanol 0.12
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.07
    propionitrile 0.24
    vinylene carbonate 0.55
    1,1,2-trichlorotrifluoroethane 3.3
    DMS 0.18
    cumene 0.02
    2-octanol 0.1
    2-hexanone 0.14
    octyl acetate 0.08
    limonene 0.08
    1,2-dimethoxyethane 2.46
    ethyl orthosilicate 0.13
    tributyl phosphate 0.08
    diacetone alcohol 0.78
    N,N-dimethylaniline 0.17
    acrylonitrile 0.55
    aniline 0.24
    1,3-propanediol 3.73
    bromobenzene 0.02
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.15
    2-methyl-cyclohexyl acetate 0.1
    tetrabutyl urea 0.29
    diisobutyl methanol 0.05
    2-phenylethanol 0.18
    styrene 0.04
    dioctyl adipate 0.1
    dimethyl sulfate 3.34
    ethyl butyrate 0.17
    methyl lactate 2.41
    butyl lactate 0.32
    diethyl carbonate 0.11
    propanediol butyl ether 1.17
    triethyl orthoformate 0.2
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.36
    morpholine 1.84
    tert-butylamine 0.1
    n-dodecanol 0.09
    dimethoxymethane 5.09
    ethylene carbonate 0.35
    cyrene 2.36
    2-ethoxyethyl acetate 0.21
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.35
    dibutyl ether 0.1
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.69
    dimethyl isosorbide 1.55
    tetrachloroethylene 0.16
    eugenol 0.56
    triacetin 0.24
    span 80 0.66
    1,4-butanediol 1.17
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.08
    methyl formate 5.51
    2-methyl-1-butanol 0.18
    n-decane 0.03
    butyronitrile 0.16
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 0.62
    tetrahydropyran 0.43
    tert-amyl methyl ether 0.12
    2,5,8-trioxanonane 2.64
    1-hexene 0.04
    2-isopropoxyethanol 0.82
    2,2,2-trifluoroethanol 3.97
    methyl butyrate 0.22

    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