4-(acetyloxy)phenyl acetate

• ChemBase ID: 78341
• Molecular Formular: C10H10O4
• Molecular Mass: 194.184
• Monoisotopic Mass: 194.0579088
• SMILES: O(c1ccc(cc1)OC(=O)C)C(=O)C
• Canonical SMILES: CC(=O)Oc1ccc(cc1)OC(=O)C
• InChI: InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3
• InChIKey: AKOGNYJNGMLDOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(acetyloxy)phenyl acetate
• IUPAC Traditional name: 1,4-benzenediol, diacetate
• Synonyms: p-DIACETOXYBENZENE; 1,4-Diacetoxybenzene 98%; Hydroquinone diacetate; 1,4-Diacetoxybenzene; 1,4-二乙酰氧基苯

Database IDs

• CAS Number: 1205-91-0
• EC Number: 214-887-9
• MDL Number: MFCD00011643
• Beilstein Number: 1912233
• PubChem SID: 162043110
• PubChem CID: 71006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1877677
• LogD (pH = 7.4): 1.1877677
• Log P: 1.1877677
• Molar Refractivity: 48.3228 cm^3
• Polarizability: 19.219828 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-122°C; 121-123°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05201666

MP Biomedicals Rare Chemical collection