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Citric acid monohydrate

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Name

Citric acid monohydrate

EINECS 200-662-2
CAS No. 5949-29-1 Density 0.791 g/mL at 25 °C(lit.)
Solubility 1630 g/L (20 °C) in water Melting Point -94 °C(lit.)
Formula C6H10O8 Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 210.1388 Flash Point 155.2 °C
Transport Information UN 1090 3/PG 2 Appearance white crystals or powder
Safety 9-16-26-37/39-36/37/39-36 Risk Codes 11-36-66-67-41-36/37/38-37/38
Molecular Structure Molecular Structure of 5949-29-1 (Citric acid monohydrate) Hazard Symbols FlammableF, IrritantXi
Synonyms

Citric acid hydrate;UNII-2968PHW8QP;Citric Acid Mono;

 

Citric acid monohydrate Specification

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,

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