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Name |
Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt |
EINECS | 245-629-3 |
CAS No. | 23386-52-9 | Density | 1.269[at 20℃] |
PSA | 118.18000 | LogP | 3.12290 |
Solubility | 74.15g/L at 20℃ | Melting Point |
N/A |
Formula | C16H25NaO7S | Boiling Point | 247℃[at 101 325 Pa] |
Molecular Weight | 384.12 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | Xi | |
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; |
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. |