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99-14-9

99-14-9 Structure

99-14-9 Structure
IdentificationMore
[Name]

TRICARBALLYLIC ACID
[CAS]

99-14-9
[Synonyms]

1,2,3-PROPANETRICARBOXYLIC ACID
3-CARBOXY-PENTANEDIOIC ACID
AKOS 223-48
PROPANE-1,2,3-TRICARBOXYLIC ACID
TRICARBALLYLIC ACID
beta-Carboxyglutaric acid
Carballylic acid
Tricarballylate
Tricarballylicacid,99%
3-carboxyglutaric acid
β-Carboxyglutaric acid
[EINECS(EC#)]

202-733-3
[Molecular Formula]

C6H8O6
[MDL Number]

MFCD00002723
[Molecular Weight]

176.12
[MOL File]

99-14-9.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light brown fine crystalline powder
[Melting point ]

156-161 °C(lit.)
[Boiling point ]

227.71°C (rough estimate)
[density ]

1.3744 (rough estimate)
[refractive index ]

1.5860 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

H2O: 50 mg/mL, clear
[form ]

Fine Crystalline Powder
[pka]

pK1 (30°): 3.49; pK2: 4.58; pK3: 5.83
[color ]

Off-white to light brown
[Water Solubility ]

Soluble in water (500 mg/ml at 18°C), methanol, and ether (slightly).
[Merck ]

14,9622
[BRN ]

1783567
[Cosmetics Ingredients Functions]

CHELATING
BUFFERING
[InChI]

1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
[InChIKey]

KQTIIICEAUMSDG-UHFFFAOYSA-N
[SMILES]

OC(=O)CC(CC(O)=O)C(O)=O
[LogP]

-1.420 (est)
[CAS DataBase Reference]

99-14-9(CAS DataBase Reference)
[EPA Substance Registry System]

1,2,3-Propanetricarboxylic acid (99-14-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338-P280a-P304+P340-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

off-white to light brown fine crystalline powder
[Uses]

It is used as an alternative to DMDHEU (formaldehyde releasing cross- linking agent).
[Definition]

ChEBI: A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.
[IC 50]

Microbial Metabolite
[Purification Methods]

Crystallise the acid from diethyl ether. [Beilstein 2 IV 2366.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRICARBALLYLIC ACID(99-14-9)MS
TRICARBALLYLIC ACID(99-14-9)1HNMR
TRICARBALLYLIC ACID(99-14-9)13CNMR
TRICARBALLYLIC ACID(99-14-9)IR1
TRICARBALLYLIC ACID(99-14-9)IR2
TRICARBALLYLIC ACID(99-14-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tricarballylic acid, 99%(99-14-9)
[Alfa Aesar]

Tricarballylic acid, 99%(99-14-9)
[Sigma Aldrich]

99-14-9(sigmaaldrich)
[TCI AMERICA]

1,2,3-Propanetricarboxylic Acid,>98.0%(GC)(T)(99-14-9)
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