Sodium sorbate supplier | CasNO.7757-81-5

Name
SORBIC ACID SODIUM SALT
EINECS 231-819-3
CAS No. 7757-81-5
Article Data5
CAS DataBase
Density
Solubility Soluble in water
Melting Point
Formula C₆H₇NaO₂
Boiling Point 233 °C at 760 mmHg
Molecular Weight 134.11
Flash Point 139.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms 2,4-Hexadienoicacid, sodium salt, (2E,4E)- (9CI);2,4-Hexadienoic acid, sodium salt, (E,E)-;Sorbic acid, sodium salt (8CI);(E,E)-2,4-Hexadienoic acid sodium salt;E 201;Sodium (E,E)-2,4-hexadienoate;Sodium sorbate;Sodium a-trans-g-trans-sorbate;2,4-hexadienoic acid, sodium salt, (2E,4E)- (1:1);Sodium (2E,4E)-2,4-hexadienoate;
PSA 40.13000
LogP -0.13140

Sodium sorbate Specification

The Sodium sorbate, with the CAS registry number 7757-81-5 and EINECS registry number 231-819-3, has the systematic name of sodium (2E,4E)-hexa-2,4-dienoate. It is the sodium salt of sorbic acid. And the molecular formula of this chemical is C₆H₇NaO₂.

The physical properties of Sodium sorbate are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 139.9 °C; (14)Enthalpy of Vaporization: 51.74 kJ/mol; (15)Boiling Point: 233 °C at 760 mmHg; (16)Vapour Pressure: 0.02 mmHg at 25°C.

Preparation and uses of Sodium sorbate: It can be prepared by neutralizing the sorbic acid with alkaline sodium. And it is usually used as a food additive with E-number E201.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)\C=C\C=C\C
(2)InChI: InChI=1/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
(3)InChIKey: LROWVYNUWKVTCU-ZCSOUONQBK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	2500mg/kg (2500mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 121, 1974.
rat	LD50	oral	7160mg/kg (7160mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Product Name

SORBIC ACID SODIUM SALT

Sodium sorbate Specification

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