429074

2-tert-Butyl-1,4-benzoquinone

98%

• Linear Formula: (CH₃)₃CC₆H₃(=O)₂
• CAS Number: 3602-55-9
• Molecular Weight: 164.20
• EC Number: 222-757-8
• MDL number: MFCD00666928
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24866835
• NACRES: NA.22

속성

• 분석: 98%
• 형태: solid
• mp: 54-58 °C (lit.)
• 작용기: ketone
• SMILES string: CC(C)(C)C1=CC(=O)C=CC1=O
• InChI: 1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
• InChI key: NCCTVAJNFXYWTM-UHFFFAOYSA-N

설명

일반 설명

2-tert-Butyl-1,4-benzoquinone (TBQ, TBBQ, tBQ, BuBQ, BQ , tert-butyl-p-quinone) is a 1,4-benzoquinone derivative. It is a major metabolite of the food additive, butylated hydroxyanisole (BHA). TBQ is reported to be strongly cytotoxic in human monocytic leukemia U937 cells. TBQ is an oxidation product of 2-tert-butylhydroquinone (TBHQ). Studies confirm that TBQ induces apoptosis and cell proliferation inhibition in chronic myelogenous leukemia (CML) cells. Its binding interactions with lysozyme has been examined and found to be intermediate between BHA and TBHQ. It has been reported to be synthesized by the titanium superoxide catalyzed oxidation of 2-tert-butylphenol using aq. 30% H₂O₂. TBQ is one of the main neoformed compounds from TBHQ decomposition in PLA-TBHQ film (Poly lactic acid).

애플리케이션

2-tert-Butyl-1,4-benzoquinone may be used in the synthesis of azatrioxa[8]circulene.

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319,H335
• 예방조치 성명서: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 표적 기관: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves