2-Tert-Butylphenol

tert-butylphenol · (1,1-dimethylethyl)-Phenol · Phenol, (1,1-dimethylethyl)- · tert-butyl phenol (mixed isomers)

識別子と物理属性

CAS No.	27178-34-3
分子式	C10H14O
平均分子量	150.22 g/mol
単同位体質量	150.10446507 g/mol
SMILES	CC(C)(C)c1ccccc1O
InChIKey	WJQOZHYUIDYNHM-UHFFFAOYSA-N
PubChem CID	6923
ChEMBL	CHEMBL108851
ChEBI	CHEBI:34305
EC No.	201-807-2
DTXSID	DTXSID2026525

化学・物理的性質

XLogP	3.3
極性表面積	20.2
水素結合供与体数	1
水素結合受容体数	1
回転可能結合数	1
重原子数	11
形式電荷	0
複雑度	123
物質分類	Other Classes -> Phenols
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
香料	Fragrance Ingredient (Phenol, 2-(1,1-dimethylethyl)-) -> IFRA transparency List
LogP（分配係数）	log Kow = 3.31
密度	0.9783 @ 20 °C/4 °CRelative density (water = 1): 0.98
Color/Form	LIGHT YELLOW LIQUIDAmber-colored liquid
溶解度	SOL IN ALCOHOLVERY SOL IN ETHERSOL IN ALKALI, CARBON TETRACHLORIDESOL IN ISOPENTANE, TOLUENE & ETHYL ALCOHOLINSOL IN WATERSolubility in water, g/100ml at 20 °C: 0.2 (poor)
引火点	110 °C230 °F OC80 °C c.c.
沸点	223 °C @ 760 mm Hg
融点	-6.8 °C
蒸気密度	Relative vapor density (air = 1): 5.2
蒸気圧	0.00015 [mmHg]1.5X10-4 mm Hg @ 25 °CVapor pressure, Pa at 20 °C: 5
EPAの化学物質情報	Phenol, (1,1-dimethylethyl)- (27178-34-3)

安全性と法規制

GHS 分類	DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 798 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
規制情報	Chemical: Phenol, 2-(1,1-dimethylethyl)-Phenol, 2-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)- 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: 21-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14446Phenol, (1,1-dimethylethyl)-: 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.2-t-Butylphenol: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	Evaluation - Propyl and butyl phenols
火災危険	Combustible. Above 80 °C explosive vapour/air mixtures may be formed.
有害性の概要	Causes somnolence, tremor, and respiratory depression in lethal-dose feeding studies of rats[RTECS] A moderate skin and eye irritantEmergency treatment: irritants[HSDB] A corrosive substance that can cause injury to the skin and eyesA respiratory tract irritant[ICSC] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractMay be absorbed through skinInhalation may cause chemical pneumonitis[MSDSonline]
UN 分類	UN Hazard Class: 8UN Pack Group: III