2,6-디-t-부틸-4-에틸페놀

2,6-디-t-부틸-4-에틸페놀 · 2,6-비스(1,1-다이메틸에틸)-4-에틸페놀 · 2,6-비스(1,1-다이메틸에틸)-4-에틸페놀(2,6-BIS(1,1-DIMETHYLETHYL)-4-ETHYLP... · 2,6-DI-TERT-BUTYL-4-ETHYLPHENOL · BHEB · Ionol 2 · Nocrac M 17 · Sandant 425

https://huagongshe.com/ko/chemical/20087

식별자 및 물리적 특성

CAS No.	4130-42-1
분자식	C16H26O
평균 분자량	234.38 g/mol
단동위원소 질량	234.19836545 g/mol
SMILES	CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey	BVUXDWXKPROUDO-UHFFFAOYSA-N
PubChem CID	20087
ChEMBL	CHEMBL225620
ChEBI	CHEBI:177477
EC No.	223-945-2
DTXSID	DTXSID0029262
현지명	2,6-디-t-부틸-4-에틸페놀

화학 및 물리적 성질

XLogP	5.7
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	17
형식 전하	0
복잡도	219
끓는 점	272.00 °C. @ 760.00 mm Hg272°C
녹는점	43.5 - 45 °C>44°C
Physical Description	Dry PowderSolid
Kovats Retention Index	17601747
밀도	0.9260 (estimate)
굴절률	1.5041 (estimate)
인화점	105°C
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	12.83±0.40(Predicted)
색상	흰색에서 밝은 노란색
BRN	1875693
LogP(분배 계수)	5.678 (est)
NIST	2,6-Ditert-butyl-4-ethylphenol(4130-42-1)
EPA	2,6-Di-tert-butyl-4-ethylphenol (4130-42-1)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 5.6% (1 of 18) of reports.WarningH315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (61.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (55.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (27.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 18 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 18 reports by companies.There are 7 notifications provided by 17 of 18 reports by companies with hazard statement code(s).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.
규제 정보	Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- 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)Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-: 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 Categories	Skin Irrit. 2 (61.1%)

용도

2,6-Di-tert-butyl-4-ethylphenol is used as a catalyst for the synthesis of aromatic carboxamides.