2,6-Di-sec-butylphenol

2,6-Di(butan-2-yl)phenol · DSBP · DI-S-BUTYLPHENOL · DI-SEC-BUTYLPHENOL · 2,6-DI-S-BUTYLPHENOL · 2,6-Di-sec-butylfenol · 2,6-di-sec-butyl-pheno · 2,6-DI-SEC-BUTYLPHENOL

https://huagongshe.com/ko/chemical/21685

식별자 및 물리적 특성

CAS No.	31291-60-8
분자식	C14H22O
평균 분자량	206.32 g/mol
단동위원소 질량	206.16706532 g/mol
SMILES	CCC(C)c1cccc(C(C)CC)c1O
InChIKey	FHTGJZOULSYEOB-UHFFFAOYSA-N
PubChem CID	21685
ChEMBL	CHEMBL416393
EC No.	226-854-6
DTXSID	DTXSID0044440

화학 및 물리적 성질

XLogP	4.4
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	15
형식 전하	0
복잡도	160
SpringerMaterials Properties	Optical coefficient
LogP(분배 계수)	4.38
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Liquid
Collision Cross Section	151.4 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044440]
녹는점	−42 °C(lit.)
끓는 점	255-260 °C(lit.)
밀도	0.918 g/mL at 25 °C(lit.)
증기압	<0.01 mm Hg ( 20 °C)
굴절률	n20/D 1.508(lit.)
인화점	261 °F
pKa(산도 계수)	10.57±0.50(Predicted)
NIST	Phenol, 2,6-bis(1-methylpropyl)-(5510-99-6)
EPA	Phenol, 2,6-bis(1-methylpropyl)- (5510-99-6)

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 30.6% (63 of 206) of reports.DangerH302 (50.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 206 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 1.2% (1 of 85) of reports.
규제 정보	Chemical: Phenol, bis(1-methylpropyl)-Phenol, bis(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, bis(1-methylpropyl)- 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: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1152Status: Active Update: 26-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11944Phenol, bis(1-methylpropyl)-: 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	Acute Tox. 4 (50.5%)Acute Tox. 4 (80%)Hazardous to the aquatic environment (Acute) - Category 1
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	SK8225000
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	29071990
위험 문구(R)	34-36/37/38
위험 표시	C,Xi
안전 문구(S)	26-27-28-36/37/39-45-24/25