Sodium 2-ethylhexanoate (HCID 23672331)

Namen und Bezeichner

Bevorzugter Name: Sodium 2-ethylhexanoate
IUPAC: sodium 2-ethylhexanoate
Lokaler Name: Natrium-2-ethylhexanoat
Englischer Name: Sodium 2-ethylhexanoate
Summenformel: C8H17NaO2
Molmasse: 168.21

Namen und Synonyme

Sodium 2-ethylhexanoateHexanoic acid, 2-ethyl-, sodium salt2-Ethylhexanoic acid sodium saltHexanoic acid, 2-ethyl-, sodium salt (1:1)2-Ethylcaproic acid sodium saltSodium-2-ethylcaproatesodium 2-ethylcaproateEINECS 243-283-8UNII-3I6Q454M3J3I6Q454M3JJ225.270HDTXSID0044866

Weitere Namen anzeigen

SODIUM ISOOCTANOATEsodium 2-ethylhexaoate2-EthylcaproicSODIUM 2-ETHYL HEXONATEAK159156sodium 2etSodium 2-ethyLUNII:3I6Q454M3JSodium 2-ethylhexano

EC 243-283-8RefChem:183613DTXCID8024866243-283-819766-89-3sodium;2-ethylhexanoateMFCD00014007SCHEMBL56210

Datenbank-Bezeichner

CAS: 19766-89-3
PubChem CID: 23672331
DTXSID: DTXSID0044866
ChEMBL: CHEMBL1762647
UNII: 3I6Q454M3J
EC Number: 243-283-8
Nikkaji: J225.270H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 11
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 157 ℃[at · 157℃[at 101 325 Pa]
Dichte: 1.07 · 1.07[at 20℃]
Dampfdruck: 0 Pa · 0Pa at 20℃
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.82 · 4.82[at 20 ℃]
Farbe: White to Off-White
Wasserlöslichkeit: Soluble in water.
Stabilität: hygroscopic
InChI: 1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey: VYPDUQYOLCLEGS-UHFFFAOYSA-M
SMILES: [Na+].CCCCC(CC)C([O-])=O
LogP: 1.3 at · 1.3 at 20℃
CAS Datenbank: 19766 · 19766-89-3(CAS DataBase Reference)
EPA chemische Informationen: 2 · Hexanoic acid, 2-ethyl-, sodium salt (19766-89-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 17.5% (53 of 303) of reports.

Danger

H315 (17.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 303 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Hexanoic acid, 2-ethyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, sodium salt (1:1) 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: 25-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11362

Hexanoic acid, 2-ethyl-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (17.5%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29159000
RTECS-Nr.: MO7855000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Repr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesAnti-freeze agent

Industry UsesLubricating agent

Household ProductsInformation on 12 consumer products that contain Hexanoic acid, 2-ethyl-, sodium salt (1:1) in the following categories is provided:

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Hexanoic acid, 2-ethyl-, sodium salt (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenSodium 2-ethylhexanoate is useful in acylation of amines. It is an active ingredient in wood preservative agent. It is mainly used for synthetic 2-ethylhexanoic acid and calcium, magnesium salts. It is also used in salt forming agent of pharmaceutical, dry catalytic agent of the paint, polymer stabilizers, crosslinking agent, thickening agent of oil, and energy-saving additive of fuel.