241091

trans-4-Phenyl-3-buten-2-one

≥99%

• Linear Formula: C₆H₅CH=CHCOCH₃
• CAS Number: 1896-62-4
• Molecular Weight: 146.19
• EC Number: 217-587-6
• MDL number: MFCD00008779
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854463
• NACRES: NA.22

Properties

• vapor pressure: 0.01 mmHg ( 25 °C)
• Assay: ≥99%
• form: solid
• bp: 260-262 °C (lit.)
• mp: 39-41 °C (lit.)
• solubility: alcohol: freely soluble(lit.); benzene: freely soluble(lit.); chloroform: freely soluble(lit.); diethyl ether: freely soluble(lit.); petroleum ether: very slightly soluble(lit.); water: very slightly soluble(lit.)
• functional group: ketone; phenyl
• SMILES string: CC(=O)\C=C\c1ccccc1
• InChI: 1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
• InChI key: BWHOZHOGCMHOBV-BQYQJAHWSA-N

Description

General description

trans-4-Phenyl-3-buten-2-one forms trans-4-(4-hydroxyphenyl)-3-buten-2-one (4-OH-PBO) as a metabolite when incubated with liver microsomes of untreated rats in the presence of NADPH.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H317,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): >230.0 °F
• Flash Point(C): > 110 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves