Sodium 2-ethylhexanoate (HCID 23672331)

名称と識別子

優先名称: Sodium 2-ethylhexanoate
IUPAC: sodium 2-ethylhexanoate
現地名: 2-エチルヘキサン酸ナトリウム
英語名: Sodium 2-ethylhexanoate
分子式: C8H17NaO2
分子量: 168.21

名称と別名

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

名称をさらに表示

2-エチルヘキサン酸ナトリウムオクチル酸ナトリウム２エチルヘキサン酸ナトリウムナトリウム＝2-エチルヘキサノアート2-エチルヘキサン酸ナトリウム, 97%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

データベース識別子

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

物性

構造計算による物性

極性表面積: 40.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 11
形式電荷: 0
複雑度: 104

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 300 °C · >300 °C (lit.)
沸点: 157 ℃[at · 157℃[at 101 325 Pa]
比重(密度): 1.07 · 1.07[at 20℃]
蒸気圧: 0 Pa · 0Pa at 20℃
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 4.82 · 4.82[at 20 ℃]
色: ホワイトからオフホワイト
水溶解度: 水に溶ける。
安定性: 吸湿性
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 データベース: 19766 · 19766-89-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · Hexanoic acid, 2-ethyl-, sodium salt (19766-89-3)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: MO7855000
hs_code: 29159000
risk_code: 36/37/38
化審法: (2)-611
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Repr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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 件

All Other Basic Organic Chemical Manufacturing

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

応用分野 · 1 件

使用Sodium 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.