CAS Number99-14-9
SynonymsEINECS 202-733-3; Propane 1,2,3-tricarboxylic acid; 3-Carboxyglutaric acid; Carballylic acid; tricarballylic acid; 3-Carboxypentane-1,5-dioic acid; MFCD00002723; Propane-1,2,3-tricarboxylic acid; QV1YVQ1VQ; 1,2,3-Propanetricarboxylic acid; β-Carboxyglutaric acid
Molecular Formula(HO2CCH2)2CHCO2H
Molecular Weight176.12
Purity99%
Density1.6±0.1 g/cm3
Boiling Point266.4±20.0 °C at 760 mmHg
Melting Point156-161 °C (lit.)
AppearanceOff-white to light brown fine crystalline powder
EINECS202-733-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99-14-9 |
| Catalog No. | 2A-9063908 |
| Chinese Name | 1,2,3-丙烷三甲酸 |
| Synonyms | EINECS 202-733-3; Propane 1,2,3-tricarboxylic acid; 3-Carboxyglutaric acid; Carballylic acid; tricarballylic acid; 3-Carboxypentane-1,5-dioic acid; MFCD00002723; Propane-1,2,3-tricarboxylic acid; QV1YVQ1VQ; 1,2,3-Propanetricarboxylic acid; β-Carboxyglutaric acid |
| Molecular Formula | (HO2CCH2)2CHCO2H |
| Molecular Weight | 176.12 |
| Purity | 99 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 266.4±20.0 °C at 760 mmHg |
| Melting Point | 156-161 °C (lit.) |
| Appearance | Off-white to light brown fine crystalline powder |
| Water Solubility | H2O: 50 mg/mL, clear |
| Storage Condition | Store in a cool, ventilated warehouse. Keep away f |
| Application | Tricarballylic acid is a conjugate acid of three-carbon allyl ester and is a competitive inhibitor of aconitate hydratase with a Ki value of 0.52 mM. |
| EINECS | 202-733-3 |
| HTC | 2917190090 |
| PubChem ID | 24900269 |
| MDL Number | MFCD00002723 |
| SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
| 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) |
| InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1783567 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/63908_1_99_14_9.pdf |
| Bioactivity | Tricarballylic acid, a conjugate acid of a tricarballylate, is a competitive inhibitor of the enzyme aconitate hydratase (aconitase; EC 4.2.1.3) with a Ki value of 0.52 mM[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others Target Ki: 0.52 mM (aconitate hydratase)[1] References [1]. Russell, James B.; Forsberg, Neil (2007). "Production of tricarballylic acid by rumen microorganisms and its potential toxicity in ruminant tissue metabolism". British Journal of Nutrition. 56 (1): 153-62. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 266.4±20.0 °C at 760 mmHg Melting Point 156-161 °C(lit.) Molecular Formula C6H8O6 Molecular Weight 176.124 Flash Point 129.2±18.3 °C Exact Mass 176.032089 PSA 111.90000 LogP -1.33 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.529 InChIKey KQTIIICEAUMSDG-UHFFFAOYSA-N SMILES O=C(O)CC(CC(=O)O)C(=O)O Water Solubility H2O: 50 mg/mL, clear |
| Use of | Properties Articles27 Name tricarballylic acid Synonym More Synonyms Tricarballylic acid Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Russell, James B.; Forsberg, Neil (2007). "Production of tricarballylic acid by rumen microorganisms and its potential toxicity in ruminant tissue metabolism". British Journal of Nutrition. 56 (1): 153-62. Chemical & Physical Properties Molecular Formula C6H8O6 Exact Mass 176.032089 PSA 111.90000 LogP -1.33 Index of Refraction 1.529 InChIKey KQTIIICEAUMSDG-UHFFFAOYSA-N SMILES O=C(O)CC(CC(=O)O)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
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