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| CAS No.: | 5949-29-1 |
|---|---|
| Name: | Citric acid monohydrate |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O8 |
| Molecular Weight: | 210.141 |
| Synonyms: | Citric acid hydrate;UNII-2968PHW8QP;Citric Acid Mono; |
| EINECS: | 200-662-2 |
| Density: | 0.791 g/mL at 25 °C(lit.) |
| Melting Point: | -94 °C(lit.) |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Solubility: | 1630 g/L (20 °C) in water |
| Appearance: | white crystals or powder |
| Hazard Symbols: |
 F,  Xi
|
| Risk Codes: | 11-36-66-67-41-36/37/38-37/38 |
| Safety: | 9-16-26-37/39-36/37/39-36 |
| Transport Information: | UN 1090 3/PG 2 |
| PSA: | 141.36000 |
| LogP: | -1.31280 |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
citric acid monohydrate
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 0.166667h; | 98.8% |
citric acid monohydrate
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 0.166667h; | 97.8% |
| Conditions | Yield |
|---|---|
| Stage #1: citric acid monohydrate With calcium oxide In water at 20℃; Stage #2: L-lysine In water at 70 - 80℃; for 4h; | 97.1% |
| Conditions | Yield |
|---|---|
| Stage #1: citric acid monohydrate With calcium hydroxide In water at 20℃; Stage #2: L-arginine In water at 70 - 80℃; for 4h; | 96% |
| Conditions | Yield |
|---|---|
| Stage #1: citric acid monohydrate With calcium carbonate In water at 20℃; Stage #2: Acetyl-L-carnitine In water at 70 - 80℃; for 4h; | 95.8% |
citric acid monohydrate
propionyl-L-carnitine
| Conditions | Yield |
|---|---|
| Stage #1: citric acid monohydrate With calcium hydroxide In water at 20℃; Stage #2: propionyl-L-carnitine In water at 70 - 80℃; for 4h; | 95.3% |
ammonia
dihydrogen peroxide
titanium tetrachloride
citric acid monohydrate
zinc(II) carbonate
| Conditions | Yield |
|---|---|
| In water TiCl4 added dropwise to a water on ice bath, H2O2 and acid added, allowed to warm to room temp., carbonate added, pH adjusted to 2 (aq. ammonia); crystd. (THF/water) for several d at 4°C; elem. anal.; | 94.6% |
water
titanium tetrachloride
citric acid monohydrate
lithium hydroxide
| Conditions | Yield |
|---|---|
| In water TiCl4 added dropwise to a water on ice bath, acid added at room temp., pH adjusted to 2 (LiOH); stored for several d at room temp.; elem. anal.; | 93.7% |
citric acid monohydrate
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 2h; | 89.5% |
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The Citric acid monohydrate, with the CAS registry number 5949-29-1, is also known as cis-Permethric acid; cis-(Dichlorovinyl)dimethylcyclopropanecarboxylic acid; cis-DL-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid. It belongs to the product categories of Organic matters.This chemical's molecular formula is C6H8O7.H2O and molecular weight is 210.14.What's more,Its systematic name is Citric acid monohydrate. It is white crystals or powder,Stable.Incompatible with oxidizing agents, bases, reducing agents, nitrates.
Physical properties about CIS-Cypermethric Acid are:(1)ACD/LogP: -1.721; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -7.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Flash Point: 155.2 °C; (13)Enthalpy of Vaporization: 63.82 kJ/mol ; (14)Boiling Point: 309.6 °C at 760 mmHg; (15)Vapour Pressure: 5.73E-05 mmHg at 25°C;
The Citric acid monohydrate is highly Flammable,risk of serious damage to eyes. It is Irritating to eyes, respiratory system and skin. Its Vapors may cause drowsiness and dizziness.When you use it, wear suitable protective clothing, gloves and eye/face protection,Keep away from sources of ignition - No smoking .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.Keep container in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CC(O)(C(=O)O)CC(=O)O.O;
(2)Std. InChI:InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2;
(3)Std. InChIKey:YASYEJJMZJALEJ-UHFFFAOYSA-N.
The toxicity data of Citric acid monohydrate as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 375mg/kg (375mg/kg) | National Technical Information Service. Vol. AD-A121-876, |
