CAS No.23386-52-9,DICYCLOHEXYL SULFOSUCCINATE SODIUM SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23386-52-9
Name:	DICYCLOHEXYL SULFOSUCCINATE SODIUM SALT

Formula:	C₁₆H₂₅NaO₇S
Molecular Weight:	384.12
Synonyms:	Butanedioicacid, sulfo-, 1,4-dicyclohexyl ester, sodium salt (9CI);Succinic acid, sulfo-,1,4-dicyclohexyl ester, sodium salt (8CI);Succinic acid, sulfo-, dicyclohexylester, sodium salt (6CI);Aerosol A 196;Dicyclohexyl sodiosulfosuccinate;Gemtex 691-40;Pelex CS;Sodium dicyclohexyl sulfosuccinate;
EINECS:	245-629-3
Density:	1.269[at 20℃]
Boiling Point:	247℃[at 101 325 Pa]
Solubility:	74.15g/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26
PSA:	118.18000
LogP:	3.12290

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Specification

The Butanedioic acid,2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1), with the CAS registry number 23386-52-9, is also known as 1,4-Dicyclohexyl sulfobutanedioate sodium salt. Its EINECS registry number is 245-629-3. This chemical's molecular formula is C₁₆H₂₅NaO₇S and molecular weight is 384.42027. Its IUPAC name is called sodium 1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonate. This chemical's classification code is Skin / Eye Irritant.

Physical properties of Butanedioic acid,2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1): (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 115.35 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+]
(2)InChI: InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1
(3)InChIKey: UELAIMNOXLAYRW-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	skin	5gm/kg (5000mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 108, 1990.
rat	LD50	oral	3540mg/kg (3540mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 108, 1990.