2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)

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  • Identifiers

    CAS number
    5949-29-1

    Molecular formula
    C6H10O8

    SMILES
    C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 61.92%
    Sour 43.87%
    Clean 25.05%
    Sharp 25.04%
    Caramellic 25.02%
    Sweet 24.11%
    Winey 23.3%
    Buttery 23.09%
    Burnt 21.06%
    Savory 20.95%

     

    Flavor
    Odorless 76.01%
    Sour 41.64%
    Very mild 37.37%
    Mild 33.69%
    Bland 25.63%
    Caramellic 25.02%
    Acidic 25.01%
    Musty 24.18%
    Yeast 24.1%
    Nutty 24.07%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.12 (weak acid)

    Molecular weight
    210.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Melting point expt.

    • 135 °C

    Flash point

    • 204.31 ˚C est.

    Solubility expt.

    • Solubility in water, g/100ml at 20 °C: 59.2

  • Synonyms

    • Citric acid monohydrate
    • 5949-29-1
    • Citric acid hydrate
    • CITRIC ACID, MONOHYDRATE
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monohydrate
    • citric acid;hydrate
    • 2968PHW8QP
    • DTXSID7074668
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1)
    • Acidum citricum monohydrate
    • Citiric acid
    • Soothe Chewable
    • Surface Wipes
    • Stop Hair
    • Alphacide Activator
    • PURILAB
    • GREEN FRESH
    • NATURE CLEAN
    • RefChem:6528
    • AQUACETIC-30
    • CITRACID-50
    • DTXCID8042634
    • W.SKIN TREEMON CLEANSING WATER
    • Cleaning Solution for Hemodialysis Machines
    • Desinfectant Solution for Hemodialysis Machine
    • 2-hydroxypropane-1,2,3-tricarboxylic acid monohydrate
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
    • KID-CLEAN Epiguard (Herbage Basis germ Growth InhibitsSolution)
    • 611-842-9
    • 691-328-9
    • 904-113-4
    • 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid monohydrate
    • MFCD00149972
    • Citric acid (monohydrate)
    • 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
    • SBB068612
    • Acidum citricum monohydricum
    • Citric acid monohydrate (USP)
    • Citric acid monohydrate [USP]
    • UNII-2968PHW8QP
    • citrate hydrate
    • citric acid water
    • water citric acid
    • Citric Acid Monohydrate; 2-Hydroxypropane-1,2,3-tricarboxylic acid monohydrate
    • monohydrate citric acid
    • CITRATE [VANDF]
    • citric acid mono-hydrate
    • CITRATE [II]
    • CITRIC ACID [II]
    • Citric acid monohydrate CRS
    • CITRIC ACID [VANDF]
    • SCHEMBL22721
    • 15686-65-4
    • Citric acid hydrate (JP18)
    • B1650 [LANGUAL]
    • orb1301601
    • CHEMBL2107737
    • CHEBI:31404
    • HY-N1428A
    • CITRIC ACID [GREEN BOOK]
    • MSK4406
    • CITRIC ACID [ORANGE BOOK]
    • CITRIC ACID HYDRATE [JAN]
    • TAUROLOCK COMPONENT CITRATE
    • CITRIC ACID [EP MONOGRAPH]
    • CITRIC ACID, HYDROUS [II]
    • CITRIC ACID,HYDROUS [VANDF]
    • CITRIC ACID MONOHYDRATE [II]
    • CITRIC ACID MONOHYDRATE [MI]
    • AKOS015918207
    • CITRIC ACID MONOHYDRATE [VANDF]
    • FC45087
    • CITRIC ACID MONOHYDRATE [MART.]
    • CITRIC ACID MONOHYDRATE [WHO-DD]
    • CITRIC ACID MONOHYDRATE [WHO-IP]
    • Citric acid monohydrate, p.a., 99.5%
    • BS-17269
    • Citric acid monohydrate, AR, >=99.5%
    • DB-053400
    • CITRIC ACID MONOHYDRATE [EP IMPURITY]
    • CS-0016857
    • CS-0166077
    • NS00134278
    • CITRIC ACID MONOHYDRATE [EP MONOGRAPH]
    • Citric acid monohydrate, BioXtra, >=99.5%
    • CITRIC ACID MONOHYDRATE [USP MONOGRAPH]
    • Citric acid monohydrate, LR, 99.5-100.5%
    • D01222
    • D85167
    • R00518
    • Citric acid monohydrate, ACS reagent, >=99.0%
    • EN300-1724991
    • ACIDUM CITRICUM MONOHYDRATE [WHO-IP LATIN]
    • Citric Acid, Monohydrate, Crystal, Reagent, ACS
    • 2-hydroxypropane-1,2,3-tricarboxylic acid, hydrate
    • Citric acid monohydrate(Discontinued,See C4X-22815)
    • Citric acid monohydrate, JIS special grade, >=99.5%
    • Citric acid monohydrate, SAJ first grade, >=99.5%
    • Q27114303
    • 2-Hydroxypropane-1,2,3-tricarboxylic acid--water (1/1)
    • Citric acid monohydrate, Vetec(TM) reagent grade, >=98%
    • Citric acid monohydrate, reagent grade, >=98% (GC/titration)
    • 1,2,3-PROPANETRICARBOXYLIC ACID, 2 HYDROXY-, MONOHYDRATE
    • 2-HYDROXY-1,2,3-PROPANE-TRICARBOXYLIC ACID, MONOHYDRATE
    • Citric acid monohydrate, >=99.5%, suitable for amino acid analysis
    • 2-Hydroxypropane-1,2,3-tricarboxylic Acid Hydrate (Tofacitinib Impurity
    • Citric acid monohydrate, European Pharmacopoeia (EP) Reference Standard
    • Citric acid monohydrate, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5-100.5%
    • Citric acid monohydrate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., buffer substance, 99.5-102%
    • Citric acid monohydrate, puriss., meets analytical specification of Ph. Eur., BP, USP, E330, 99.5-100.5% (based on anhydrous substance), grit
    • 5949-29-1

  • Applications

    2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1), CAS 5949-29-1, is commonly used as an acidulant and acidity regulator in foods and beverages, and also serves as a chelating agent and stabilizer in cosmetics and personal care formulations. It is employed in cleaning and household products as a water-softening and metal-scavenging additive. In pharmaceutical formulations, it acts as an excipient and pH-control stabilizer. In industrial manufacturing and coatings/plastics, it functions as a processing aid and chelating agent to improve formulation stability and metal handling during processing. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 702.69
    methanol 1298.44
    isopropanol 165.15
    water 1283.0
    ethyl acetate 65.78
    n-propanol 583.6
    acetone 228.92
    n-butanol 198.31
    acetonitrile 142.61
    DMF 1694.17
    toluene 51.39
    isobutanol 192.06
    1,4-dioxane 233.12
    methyl acetate 83.22
    THF 357.76
    2-butanone 154.26
    n-pentanol 144.56
    sec-butanol 174.99
    n-hexane 25.84
    ethylene glycol 654.72
    NMP 678.18
    cyclohexane 21.69
    DMSO 1144.17
    n-butyl acetate 22.9
    n-octanol 52.31
    chloroform 15.95
    n-propyl acetate 36.23
    acetic acid 92.56
    dichloromethane 45.5
    cyclohexanone 87.81
    propylene glycol 324.47
    isopropyl acetate 29.88
    DMAc 980.6
    2-ethoxyethanol 425.41
    isopentanol 89.4
    n-heptane 25.95
    ethyl formate 95.29
    1,2-dichloroethane 73.52
    n-hexanol 76.52
    2-methoxyethanol 709.96
    isobutyl acetate 11.79
    tetrachloromethane 5.99
    n-pentyl acetate 21.03
    transcutol 133.99
    n-heptanol 59.26
    ethylbenzene 25.95
    MIBK 41.21
    2-propoxyethanol 249.58
    tert-butanol 140.28
    MTBE 75.56
    2-butoxyethanol 135.81
    propionic acid 119.42
    o-xylene 50.22
    formic acid 424.08
    diethyl ether 161.92
    m-xylene 36.01
    p-xylene 21.72
    chlorobenzene 10.73
    dimethyl carbonate 123.2
    n-octane 11.9
    formamide 651.77
    cyclopentanone 178.33
    2-pentanone 102.27
    anisole 58.71
    cyclopentyl methyl ether 136.7
    gamma-butyrolactone 232.19
    1-methoxy-2-propanol 345.25
    pyridine 124.47
    3-pentanone 118.0
    furfural 141.21
    n-dodecane 6.54
    diethylene glycol 281.74
    diisopropyl ether 28.12
    tert-amyl alcohol 124.05
    acetylacetone 59.56
    n-hexadecane 6.64
    acetophenone 39.48
    methyl propionate 153.56
    isopentyl acetate 13.46
    trichloroethylene 35.92
    n-nonanol 49.08
    cyclohexanol 84.34
    benzyl alcohol 67.08
    2-ethylhexanol 29.48
    isooctanol 34.08
    dipropyl ether 90.56
    1,2-dichlorobenzene 8.99
    ethyl lactate 49.92
    propylene carbonate 52.93
    n-methylformamide 890.04
    2-pentanol 85.35
    n-pentane 39.61
    1-propoxy-2-propanol 110.6
    1-methoxy-2-propyl acetate 40.21
    2-(2-methoxypropoxy) propanol 73.48
    mesitylene 22.28
    ε-caprolactone 83.34
    p-cymene 14.35
    epichlorohydrin 222.37
    1,1,1-trichloroethane 11.6
    2-aminoethanol 842.79
    morpholine-4-carbaldehyde 477.84
    sulfolane 286.52
    2,2,4-trimethylpentane 7.64
    2-methyltetrahydrofuran 146.31
    n-hexyl acetate 24.67
    isooctane 4.36
    2-(2-butoxyethoxy)ethanol 109.05
    sec-butyl acetate 16.44
    tert-butyl acetate 26.56
    decalin 7.89
    glycerin 400.42
    diglyme 177.81
    acrylic acid 114.05
    isopropyl myristate 13.71
    n-butyric acid 65.46
    acetyl acetate 18.07
    di(2-ethylhexyl) phthalate 13.25
    ethyl propionate 55.14
    nitromethane 203.26
    1,2-diethoxyethane 58.31
    benzonitrile 26.12
    trioctyl phosphate 16.74
    1-bromopropane 53.95
    gamma-valerolactone 244.94
    n-decanol 40.18
    triethyl phosphate 16.66
    4-methyl-2-pentanol 36.03
    propionitrile 139.92
    vinylene carbonate 52.53
    1,1,2-trichlorotrifluoroethane 112.47
    DMS 22.4
    cumene 16.91
    2-octanol 30.52
    2-hexanone 48.72
    octyl acetate 21.18
    limonene 20.1
    1,2-dimethoxyethane 383.11
    ethyl orthosilicate 17.72
    tributyl phosphate 11.82
    diacetone alcohol 60.84
    N,N-dimethylaniline 73.76
    acrylonitrile 182.59
    aniline 75.94
    1,3-propanediol 341.27
    bromobenzene 7.48
    dibromomethane 33.02
    1,1,2,2-tetrachloroethane 38.51
    2-methyl-cyclohexyl acetate 15.15
    tetrabutyl urea 34.34
    diisobutyl methanol 17.74
    2-phenylethanol 38.43
    styrene 23.11
    dioctyl adipate 19.43
    dimethyl sulfate 164.84
    ethyl butyrate 29.32
    methyl lactate 146.88
    butyl lactate 27.15
    diethyl carbonate 17.41
    propanediol butyl ether 81.63
    triethyl orthoformate 24.03
    p-tert-butyltoluene 13.33
    methyl 4-tert-butylbenzoate 46.18
    morpholine 358.77
    tert-butylamine 94.24
    n-dodecanol 31.39
    dimethoxymethane 681.0
    ethylene carbonate 51.33
    cyrene 112.37
    2-ethoxyethyl acetate 28.5
    2-ethylhexyl acetate 11.91
    1,2,4-trichlorobenzene 10.03
    4-methylpyridine 94.26
    dibutyl ether 31.61
    2,6-dimethyl-4-heptanol 17.74
    DEF 248.58
    dimethyl isosorbide 102.97
    tetrachloroethylene 29.39
    eugenol 56.76
    triacetin 20.58
    span 80 49.29
    1,4-butanediol 212.14
    1,1-dichloroethane 27.78
    2-methyl-1-pentanol 64.54
    methyl formate 452.31
    2-methyl-1-butanol 123.58
    n-decane 11.3
    butyronitrile 81.34
    3,7-dimethyl-1-octanol 24.33
    1-chlorooctane 18.03
    1-chlorotetradecane 8.6
    n-nonane 12.09
    undecane 8.39
    tert-butylcyclohexane 5.58
    cyclooctane 14.8
    cyclopentanol 132.11
    tetrahydropyran 139.18
    tert-amyl methyl ether 85.86
    2,5,8-trioxanonane 140.57
    1-hexene 49.39
    2-isopropoxyethanol 161.65
    2,2,2-trifluoroethanol 82.69
    methyl butyrate 55.95

    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