β-메르캅토프로피온산 2-에틸헥실

2-Ethylhexyl 3-mercaptopropionate

HCID 92640CAS 50448-95-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCC(CC)COC(=O)CCS
InChIKey: SUODCTNNAKSRHB-UHFFFAOYSA-N
분자식: C11H22O2S
평균 분자량: 218.36 g/mol
단동위원소 질량: 218.13405094

이름 및 식별자

우선 이름: 2-Ethylhexyl 3-mercaptopropionate
IUPAC: 2-ethylhexyl 3-sulfanylpropanoate
현지명: β-메르캅토프로피온산 2-에틸헥실
영어명: 2-Ethylhexyl 3-Mercaptopropionate
분자식: C11H22O2S
분자량: 218.36

이름 및 동의어

50448-95-82-Ethylhexyl 3-mercaptopropionate2-ethylhexyl 3-mercaptopropanoate3-Mercaptopropionic Acid 2-Ethylhexyl EsterPropanoic acid, 3-mercapto-, 2-ethylhexyl esterOW5186THXBEINECS 256-589-1FEMA NO. 4588DTXSID308661512-ETHYLHEXYL .BETA.-MERCAPTOPROPIONATE.BETA.-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTERRefChem:471970

이름 더 보기

2-에틸헥실3-메르카프토프로피온산염β-메르캅토프로피온산2-에틸헥실2-에틸헥실3-메르카프토프로피온산염(2-ETHYLHEXYL3-MERCAPTOPROPIONATE)3-MERCAPTOPROPIONICACID2-ETHYLHEXYL에스테르2-EHMP2-Ethylhexyl-3-mercaptopropionat2-Ethylhexyl3-Mercaptopropionate>Mercaptopropionicacidethylhexylester

DTXCID508144722-ETHYLHEXYL BETA-MERCAPTOPROPIONATE(+-)-2-ETHYLHEXYL 3-MERCAPTOPROPIONATE2-ETHYLHEXYL 3-MERCAPTOPROPIONATE, (+-)-BETA-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTER256-589-12-Ethylhexyl 3-sulfanylpropanoate2-Octyl 3-Mercaptopropionate

데이터베이스 식별자

CAS: 50448-95-8
PubChem CID: 92640
DTXSID: DTXSID30866151
UNII: OW5186THXB
EC Number: 256-589-1
Nikkaji: J383.028D

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 27.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 9
무거운 원자 수: 14
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.964-0.970 (20 °C)

Solubility · 2건

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point283-284 °C

Refractive Index1.458-1.464

Physical DescriptionClear colourless to pale yellow liquid; Sweet penetrating aroma

물리화학적 성질

끓는 점: 285.9 · 285.9±23.0 °C(Predicted)
밀도: 0 · 0,96 g/cm3
증기압: 10.6 Pa · 10.6Pa at 25℃
굴절률: 1.459 to · 1.4590 to 1.4610
FEMA: 4588 · 4588 | 2-ETHYLHEXYL 3-MERCAPTOPROPIONATE
인화점: 125 °C · 125 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: Insoluble in water
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.65 · 9.65±0.10(Predicted)
Specific Gravity: 0.964 · 0.964 (20℃)
색상: 무색 내지 거의 무색
수용성: 65 mg/L · 65mg/L at 20℃
JECFA Number: 1938 · 1938
LogP: 4.9 at · 4.9 at 20℃
EPA: 2 · 2-Ethylhexyl 3-mercaptopropionate (50448-95-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (19%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 599 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.