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2090-05-3

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2090-05-3 Usage

Description

Calcium benzoate is the calcium salt of benzoic acid, a compound that serves as a preservative in the food industry. It is known for its complex formulas and structures, with a coordination number of eight and the ability to form Ca-O bonds. The degree of hydration is another variable in its composition.

Uses

Used in the Food Industry:
Calcium benzoate is used as a preservative for [application reason] to extend the shelf life and maintain the quality of various food products. It is approved for use as a food additive in the European Union, the United States, Australia, and New Zealand, with the E number E213 (INS number 213).

Flammability and Explosibility

Notclassified

Purification Methods

Calcium benzoate (3H2O) [2090-05-3] M 336.4. Recrystallise it from water (10m/g) between 90o and 0o. [Beilstein 9 I 60, 9 H 85, 9 III 377, 9 IV 280.]

Check Digit Verification of cas no

The CAS Registry Mumber 2090-05-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,0,9 and 0 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 2090-05:
(6*2)+(5*0)+(4*9)+(3*0)+(2*0)+(1*5)=53
53 % 10 = 3
So 2090-05-3 is a valid CAS Registry Number.
InChI:InChI=1/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

2090-05-3 Well-known Company Product Price

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  • Alfa Aesar

  • (A12358)  Calcium benzoate hydrate, 98%, water <8%   

  • 2090-05-3

  • 100g

  • 440.0CNY

  • Detail
  • Alfa Aesar

  • (A12358)  Calcium benzoate hydrate, 98%, water <8%   

  • 2090-05-3

  • 500g

  • 1698.0CNY

  • Detail
  • Alfa Aesar

  • (A12358)  Calcium benzoate hydrate, 98%, water <8%   

  • 2090-05-3

  • 2500g

  • 6838.0CNY

  • Detail

2090-05-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name calcium,dibenzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,calcium salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2090-05-3 SDS

2090-05-3Synthetic route

benzoic acid
65-85-0

benzoic acid

calcium benzoate
2090-05-3

calcium benzoate

Conditions
ConditionsYield
With calcium(II) chloride dihydrate In methanol; water Alkaline conditions;95%
salicylhydroxamic acid
89-73-6

salicylhydroxamic acid

manganese(II) benzoate dihydrate

manganese(II) benzoate dihydrate

dichloromethane
75-09-2

dichloromethane

calcium benzoate
2090-05-3

calcium benzoate

triethylamine
121-44-8

triethylamine

(NHEt3)2[Mn4Ca(O2CPh)4(salicylhydroxime-3H)4]*4CH2Cl2

(NHEt3)2[Mn4Ca(O2CPh)4(salicylhydroxime-3H)4]*4CH2Cl2

Conditions
ConditionsYield
In dichloromethane Mn(O2CPh)2*2H2O, Ca(O2CPh)2, salicylhydroxamic acid (1:1:1 ratio) reacted in the presenced of NEt3 (3 equiv.); filtered; concd. by evapn.;55%
methanol
67-56-1

methanol

quinoline-2-carbaldehyde oxime
1131-68-6

quinoline-2-carbaldehyde oxime

manganese(II) benzoate dihydrate

manganese(II) benzoate dihydrate

calcium benzoate
2090-05-3

calcium benzoate

acetonitrile
75-05-8

acetonitrile

[MnII6MnIII16Ca2O14(OH)4(OMe)6(O2CPh)22(qao)2(MeCN)2(H2O)4](OH)2

[MnII6MnIII16Ca2O14(OH)4(OMe)6(O2CPh)22(qao)2(MeCN)2(H2O)4](OH)2

Conditions
ConditionsYield
With triethylamine for 0.5h;20%
calcium acetate
62-54-4

calcium acetate

calcium benzoate
2090-05-3

calcium benzoate

acetophenone
98-86-2

acetophenone

calcium benzoate
2090-05-3

calcium benzoate

benzophenone
119-61-9

benzophenone

Conditions
ConditionsYield
Thermolysis;
durch trockne Destillation;
calcium benzoate
2090-05-3

calcium benzoate

benzene-d1
1120-89-4

benzene-d1

Conditions
ConditionsYield
With Ca(OD)2 at 300℃;
calcium benzoate
2090-05-3

calcium benzoate

benzoic acid anhydride
93-97-0

benzoic acid anhydride

Conditions
ConditionsYield
With sulfuryl dichloride; sodium chloride
With sulfuryl dichloride; sodium sulfate
With sodium benzoate; sulfuryl dichloride
calcium benzoate
2090-05-3

calcium benzoate

A

ortho-nitrobenzoic acid
552-16-9

ortho-nitrobenzoic acid

B

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

C

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

Conditions
ConditionsYield
With oxygen; Nitrogen dioxide; ozone In 1,2-dichloro-ethane at 0℃; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With oxygen; Nitrogen dioxide; ozone In 1,2-dichloro-ethane at 0℃; for 1h; Product distribution; Mechanism;
calcium benzoate
2090-05-3

calcium benzoate

calcium propionate

calcium propionate

1-phenyl-propan-1-one
93-55-0

1-phenyl-propan-1-one

Conditions
ConditionsYield
bei der Destillation;
calcium benzoate
2090-05-3

calcium benzoate

calcium cinnamate

calcium cinnamate

trans-cinnamic acid ; double salt of calcium cinnamate with calcium benzoate

trans-cinnamic acid ; double salt of calcium cinnamate with calcium benzoate

tricalcium aliminate

tricalcium aliminate

calcium benzoate
2090-05-3

calcium benzoate

calcium oxide

calcium oxide

3CaO*Al2O3*C6H5CO2(1-)*99H2O

3CaO*Al2O3*C6H5CO2(1-)*99H2O

Conditions
ConditionsYield
With H2O In water
(NBu(n)4)[Mn4O2(benzoato)9(H2O)]

(NBu(n)4)[Mn4O2(benzoato)9(H2O)]

water
7732-18-5

water

calcium benzoate
2090-05-3

calcium benzoate

acetonitrile
75-05-8

acetonitrile

Mn13Ca2O10(22+)*2OH(1-)*2OCH3(1-)*18O2CC6H5(1-)*4H2O*10CH3CN=Mn13Ca2O10(OH)2(OCH3)2(O2CC6H5)18(H2O)4*10CH3CN

Mn13Ca2O10(22+)*2OH(1-)*2OCH3(1-)*18O2CC6H5(1-)*4H2O*10CH3CN=Mn13Ca2O10(OH)2(OCH3)2(O2CC6H5)18(H2O)4*10CH3CN

Conditions
ConditionsYield
In methanol; acetonitrile Mn complex reacted with 0.25 equiv. of Ca salt in CH3CN/CH3OH (20:1 v/v); filtered, concd., elem. anal.;
N-Ethylmaleimide
128-53-0

N-Ethylmaleimide

calcium benzoate
2090-05-3

calcium benzoate

1-ethyl-3-phenyl-1H-pyrrole-2,5-dione
16213-08-4

1-ethyl-3-phenyl-1H-pyrrole-2,5-dione

Conditions
ConditionsYield
With silver tetrafluoroborate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate In tetrahydrofuran at 120℃; for 3h; Sealed tube;49 %Spectr.
N-Ethylmaleimide
128-53-0

N-Ethylmaleimide

calcium benzoate
2090-05-3

calcium benzoate

A

1-ethyl-3-phenyl-1H-pyrrole-2,5-dione
16213-08-4

1-ethyl-3-phenyl-1H-pyrrole-2,5-dione

B

1'-ethyl-3H-spiro[isobenzofuran-1,3'-pyrrolidine]-2',3,5'-trione

1'-ethyl-3H-spiro[isobenzofuran-1,3'-pyrrolidine]-2',3,5'-trione

Conditions
ConditionsYield
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper(II) acetate monohydrate In 2,2,2-trifluoroethanol at 100℃; for 1h; Sealed tube;A 5 %Spectr.
B 37 %Spectr.

2090-05-3Upstream product

2090-05-3Relevant articles and documents

New insights in Mn–Ca chemistry from the use of oximate-based ligands: {MnII/III22Ca2} and {MnIV2Ca2} complexes with relevance to both low- and high-valent states of the oxygen-evolving complex

Alaimo, Alysha A.,Alexandropoulos, Dimitris I.,Lampropoulos, Christos,Stamatatos, Theocharis C.

, p. 39 - 44 (2018)

The initial use of quinoline-2-aldoxime (qaoH) and 2,6-diacetylpyridine dioxime (dapdoH2) in heterometallic Mn–Ca chemistry has afforded a mixed-valence {MnII/III22Ca2} cluster containing several {Mn4CaOx} subunits and a ‘butterfly’-like {MnIV2Ca2} complex, respectively. The one-pot reaction of Mn(O2CPh)2·2H2O and Ca(O2CPh)2·H2O with qaoH and NEt3 in a 1:1:1:1 molar ratio in a solvent mixture comprising MeCN/MeOH gave complex [Mn22Ca2O14(OH)4(OMe)6(O2CPh)22(qao)2(MeCN)2(H2O)4](OH)2 (1; 6MnII/16MnIII) in 20% yield. A similar reaction with that of 1, albeit with Mn(O2CPh)2·2H2O and Ca(NO3)2·4H2O in the presence of dapdoH2 and NEt3, in a molar ratio of 1:1:2:2 in MeCN/MeOH, led to the smaller nuclearity complex [Mn2Ca2(OMe)2(NO3)2(dapdo)4] (2; 2MnIV) in 40% yield. The reported compounds demonstrate structural and magnetic relevance to both low- and high-valent states of the OEC.

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