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5949-29-1

Basic Information
CAS No.: 5949-29-1
Name: Citric acid monohydrate
Article Data: 5
Molecular Structure:
Molecular Structure of 5949-29-1 (Citric acid monohydrate)
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: FlammableF, IrritantXi
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
Synthetic route
7758-19-2

sodium chlorite

5949-29-1

citric acid monohydrate

Conditions
ConditionsYield
With sodium hydroxide

2-(4-(3-(5-ethyl-4-oxo-7-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenylsulfonyl)piperazin-1-yl)ethyl 6-(nitrooxy)hexanoate

5949-29-1

citric acid monohydrate

C6H8O7*C32H46N6O9S

Conditions
ConditionsYield
In methanol at 20℃; for 0.166667h;98.8%

(S)-2-(4-(3-(5-ethyl-4-oxo-7-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenylsulfonyl)piperazin-1-yl)ethyl 5,6-bis(nitrooxy)hexanoate

5949-29-1

citric acid monohydrate

C6H8O7*C32H45N7O12S

Conditions
ConditionsYield
In methanol at 20℃; for 0.166667h;97.8%
56-87-1

L-lysine

5949-29-1

citric acid monohydrate

L-lysine calcium citrate

Conditions
ConditionsYield
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%
74-79-3

L-arginine

5949-29-1

citric acid monohydrate

L-arginine calcium citrate

Conditions
ConditionsYield
Stage #1: citric acid monohydrate With calcium hydroxide In water at 20℃;
Stage #2: L-arginine In water at 70 - 80℃; for 4h;
96%
3040-38-8

Acetyl-L-carnitine

5949-29-1

citric acid monohydrate

acetyl L-carnitine calcium citrate

Conditions
ConditionsYield
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%
5949-29-1

citric acid monohydrate

20064-19-1

propionyl-L-carnitine

propionyl L-carnitine calcium citrate

Conditions
ConditionsYield
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%
7664-41-7

ammonia

7722-84-1

dihydrogen peroxide

7550-45-0

titanium tetrachloride

5949-29-1

citric acid monohydrate

743369-26-8

zinc(II) carbonate

Zn(2+)*4NH4(1+)*[Ti2(O2)2(H(O2CC(CH2CO2)2O)2)]2(6-)*12H2O=Zn(NH4)4([Ti2(O2)2(H(O2CC(CH2CO2)2O)2)]2)*12H2O

Conditions
ConditionsYield
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%
7550-45-0

titanium tetrachloride

5949-29-1

citric acid monohydrate

1310-65-2

lithium hydroxide

2Li(1+)*Ti(4+)*3O2CC(CH2CO2)2O(4-)*6H(1+)*4H2O=Li2[Ti(HO2CC(CH2CO2)2OH)3]*4H2O

Conditions
ConditionsYield
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%

[(1R)-1-{2-[(2-fluoro-5-methylphenyl)formamido]acetamido}-3-methylbutyl]boronic acid

5949-29-1

citric acid monohydrate

2-[4-(carboxymethyl)-2-[(1R)-1-{2-[(2-fluoro-5-methylphenyl)formamido]acetamido}-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid

Conditions
ConditionsYield
In ethyl acetate at 70℃; for 2h;89.5%
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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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