Ethanol, 2-[(4-methylphenyl)sulfonyl]-

MPSE · 2-TOSYLETHANOL · 2-(p-tosyl)ethanol · Toluenesulfonylethanol · 2-(P-TOLYLSULFONYL)ETHANOL · 2-(P-TOLUENESULFONYL)ETHANOL · 2-(P-TOLUENESULPHONYL)ETHANOL · 2-(4-Toluenesulfonyl)-ethanol

https://huagongshe.com/ko/chemical/89682

Ethanol, 2-[(4-methylphenyl)sulfonyl]- 분자 구조식

식별자 및 물리적 특성

CAS No.	22381-54-0
분자식	C9H12O3S
평균 분자량	200.26 g/mol
단동위원소 질량	200.05071541 g/mol
SMILES	Cc1ccc(S(=O)(=O)CCO)cc1
InChIKey	QJFIXBNLKARINT-UHFFFAOYSA-N
PubChem CID	89682
EC No.	625-269-7
DTXSID	DTXSID1066786

화학 및 물리적 성질

XLogP	1
극성 표면적	62.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	13
형식 전하	0
복잡도	232
녹는점	50-56 °C (lit.)
끓는 점	178-181 °C/0.2 mmHg (lit.)
밀도	1.2922 (rough estimate)
굴절률	1.4998 (estimate)
인화점	178-181°C/0.2mm
저장 조건	Sealed in dry,Room Temperature
물리적 상태	solid
pKa(산도 계수)	13.73±0.10(Predicted)
용해도	물에 약간 용해됩니다.
BRN	1961132
InChI	1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
InChIKey	QJFIXBNLKARINT-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)S(=O)(=O)CCO
EPA	Ethanol, 2-[(4-methylphenyl)sulfonyl]- (22381-54-0)

화학적 성질

WHITE TO OFF-WHITE ADHERING CRYSTALS

안전 및 규제

GHS 분류	WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29062990
위험 문구(R)	22
위험 표시	Xn
안전 문구(S)	24/25
위험 등급	Acute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

2-(p-Toluenesulfonyl)ethanol is used as an organic chemical synthesis intermediate.