Sodium 2-ethylhexanoate (HCID 23672331)

이름 및 식별자

우선 이름: Sodium 2-ethylhexanoate
IUPAC: sodium 2-ethylhexanoate
현지명: 소듐 2-에틸헥사노에이트
영어명: Sodium 2-ethylhexanoate
분자식: C8H17NaO2
분자량: 168.21

이름 및 동의어

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

이름 더 보기

소듐2-에틸헥사노에이트2-에틸헥사노산, 나트륨 염SODIUM ISOOCTANOATEsodium 2-ethylhexaoate2-EthylcaproicSODIUM 2-ETHYL HEXONATEAK159156sodium 2etSodium 2-ethyLUNII:3I6Q454M3JSodium 2-ethylhexano

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 40.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 104

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 157 ℃[at · 157℃[at 101 325 Pa]
밀도: 1.07 · 1.07[at 20℃]
증기압: 0 Pa · 0Pa at 20℃
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.82 · 4.82[at 20 ℃]
색상: 흰색에서 황백색까지
수용성: 물에 용해됩니다.
안정성: 흡습성
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℃
EPA: 2 · Hexanoic acid, 2-ethyl-, sodium salt (19766-89-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MO7855000
HS 번호: 29159000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-31445
Hazard Classifications: Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

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 · 2건

All Other Basic Organic Chemical Manufacturing

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

응용 분야 · 1건

용도Sodium 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.