2,4-Di-tert-pentylphenol

DTAP · 2,4-DI-TERT-AMYLPHENOL · Phenol, 2,4-bis(1,1-dimethylpropyl)- · Di-tert-amylphenol · 2,4-Di-t-pentyphenol · prodox156 · Prodox 156 · 2，4-di-t-amylphenol

https://huagongshe.com/ko/chemical/8455

식별자 및 물리적 특성

CAS No.	120-95-6
분자식	C16H26O
평균 분자량	234.38 g/mol
단동위원소 질량	234.19836545 g/mol
SMILES	CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1
InChIKey	WMVJWKURWRGJCI-UHFFFAOYSA-N
PubChem CID	8455
ChEMBL	CHEMBL1890694
EC No.	204-439-0
DTXSID	DTXSID9026974

화학 및 물리적 성질

XLogP	6
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	17
형식 전하	0
복잡도	242
물질 분류	Other Classes -> Phenols
증기압	0.0000841 [mmHg]
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description	LiquidOther SolidSemi-solid that melts to colorless liquidmp = 25 deg C[MSDSonline]
녹는점	25 °C (lit.)
끓는 점	169-170 °C/22 mmHg (lit.)
밀도	0.930 g/mL at 25 °C (lit.)
굴절률	1.506-1.508
인화점	>230 °F
저장 조건	2-8°C
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	11.00±0.31(Predicted)
색상	White or Colorless to Almost white or Almost colorless
용해도	3mg/L at 21℃
InChI	InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKey	WMVJWKURWRGJCI-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(C(C)(C)CC)C=C1C(C)(C)CC
LogP(분배 계수)	6.3 at 22℃
NIST	2,4-Di-tert-amyl phenol(120-95-6)
EPA	2,4-Di-tert-amylphenol (120-95-6)

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 91 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Chemical: Phenol, 2,4-bis(1,1-dimethylpropyl)-Regulation (EC) No 1935/2004 (amended)Phenol, 2,4-bis(1,1-dimethylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-bis(1,1-dimethylpropyl)- 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: 22-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17246Phenol, 2,4-bis(1,1-dimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A moderate eye irritant when tested in rabbits[RTECS] An eye irritant[MSDSonline]
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute toxicity (Oral) - Category 4
Effluent Concentrations	POTENTIALLY TOXIC ORGANIC COMPOUNDS IN INDUSTRIAL WASTE WATERS & RIVER SYSTEMS, INCLUDING 2,4-DI-T-PENTYLPHENOL.
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	SL3500000
운송 번호(UN)	3077
관세 코드	29071990
위험 문구(R)	22-36-36/38

용도

UV Stabilizer Intermediate, Photographic Developers, Specialty Surfactants, Fuel Additive Intermediate

일반 설명

The standard molar enthalpies of sublimation (or vaporization) of 2,4-di-tert-amylphenol have been evaluated. Preparation of 2,4-di-tert-amylphenol, via catalytic alkylation of phenol with trimethylethylene, is reported.