2-ethylhexanoic acid tin(II) salt

HCID 9318

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Basic information

CAS: 301-10-0
Standard SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
InChIKey: KSBAEPSJVUENNK-UHFFFAOYSA-L
Molecular formula: C16.H30.O4.Sn
Average molar mass: 405.1 g/mol
Monoisotopic mass: 406.11660414

Overview

used as a catalyst for ring-opening polymerization to make D,L-lactide and epsilon-caprolactone copolymers

Names & identifiers

Preferred name: 2-ethylhexanoic acid tin(II) salt
IUPAC: bis(2-ethylhexanoate);tin(2+)

Names & synonyms

2-Ethylhexanoic acid tin(II) saltSn(Oct)2RefChem:58487STANNOUS OCTOATE301-10-0Tin(II) 2-ethylhexanoateTin dioctoateStannous 2-ethylhexanoateTin octoateTin bis(2-ethylhexanoate)Tin ethylhexanoateTin(II) bis(2-ethylhexanoate)

Show more names

Nuocure 28Tin 2-ethylhexanoateStannous 2-ethylhexoateTin(II) 2-ethylhexylate2-ethylhexanoate;tin(2+)Tin(2+) 2-ethylhexanoateHexanoic acid, 2-ethyl-, tin(2+) saltUNII-519A78R12Y

Database identifiers

CAS: 301-10-0
PubChem CID: 9318
DTXSID: DTXSID1027138
UNII: 519A78R12Y
EC Number: 206-108-6
Nikkaji: J193.708A

Properties

Computed structural propertiesFilling in

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 93.9

Experimental & physicochemical properties

Chemical ClassesMetals -> Organic Acids, Metal Salts

Density1.251 @25 °C

Vapor Pressure0.00000001 [mmHg]

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2 items

CBI

Liquid; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.2% (2 of 972) of reports.

Danger

H315 (26.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 972 reports by companies from 30 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 3 items

Chemical: Hexanoic acid, 2-ethyl-, tin(2+) salt

Hexanoic acid, 2-ethyl-, tin(2+) salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, tin(2+) salt (2:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2082

Other Safety InformationIMAP assessments - Hexanoic acid, 2-ethyl-, tin(2+) salt: Human health tier II assessment

Hazards Summary · 1 item

Oral LD50 (rat) = 3,400-5,870 mg/kg; Causes mild skin and moderate eye irritation in rabbits; [EPA ChAMP: Submissions - Final Summaries] Metal carboxylates readily dissociate in water into the free metal and free acid; [EPA ChAMP: Submission] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Tin and inorganic compounds. See 2-Ethylhexanoic acid.

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (26.1%)

Eye damage - category 1