CAS No.17265-14-4,SEBACIC ACID DISODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17265-14-4
Name:	SEBACIC ACID DISODIUM SALT
Article Data:	1

Formula:	C₁₀H₁₈Na₂O₄
Molecular Weight:	246.214
Synonyms:	Decanedioicacid, disodium salt (9CI);Sebacic acid, disodium salt (8CI);Disodiumdecanedioate;Disodium sebacate;Sodium sebacate;
EINECS:	241-300-3
Density:	1.48[at 20℃]
Boiling Point:	374.3 °C at 760 mmHg
Flash Point:	198.3 °C
Solubility:	198.8g/L at 20℃
Safety:	24/25
PSA:	80.26000
LogP:	-0.39300

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Specification

The Decanedioic acid,sodium salt (1:2), with CAS registry number 17265-14-4, has the systematic name of disodium decanedioate. Its classification code is Drug / Therapeutic Agent. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C₁₀H₁₈Na₂O₄. What's more, its EINECS is 241-300-3.

Physical properties of Decanedioic acid,sodium salt (1:2): (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): -2.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 74.6 Å²; (13)Flash Point: 198.3 °C; (14)Enthalpy of Vaporization: 68.26 kJ/mol; (15)Boiling Point: 374.3 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCCCCCCCC([O-])=O
(2)InChI: InChI=1/C10H18O4.2Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2
(3)InChIKey: NCXUIEDQTCQZRK-NUQVWONBAR
(4)Std. InChI: InChI=1S/C10H18O4.2Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2
(5)Std. InChIKey: NCXUIEDQTCQZRK-UHFFFAOYSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD	oral	> 6gm/kg (6000mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.
rabbit	LD50	intraperitoneal	6gm/kg (6000mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.
rabbit	LD50	intravenous	1440mg/kg (1440mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.
rat	LD	oral	> 6gm/kg (6000mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.
rat	LD50	intraperitoneal	5500mg/kg (5500mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.
rat	LD50	intravenous	560mg/kg (560mg/kg)	GASTROINTESTINAL: OTHER CHANGES	Drugs under Experimental and Clinical Research. Vol. 16, Pg. 531, 1990.